3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one

C27H29NO2 — CID 158773052

IUPAC3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one
SMILESCc1c(COc2ccc(CNCC3CCC(=O)C3)cc2)cccc1-c1ccccc1
InChIInChI=1S/C27H29NO2/c1-20-24(8-5-9-27(20)23-6-3-2-4-7-23)19-30-26-14-11-21(12-15-26)17-28-18-22-10-13-25(29)16-22/h2-9,11-12,14-15,22,28H,10,13,16-19H2,1H3
InChIKeyIQCSPDOJSBVGCG-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.70
Rot. Bonds8

About 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one

3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one (PubChem CID 158773052) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one
PubChem CID158773052
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one
SMILESCc1c(COc2ccc(CNCC3CCC(=O)C3)cc2)cccc1-c1ccccc1
InChIInChI=1S/C27H29NO2/c1-20-24(8-5-9-27(20)23-6-3-2-4-7-23)19-30-26-14-11-21(12-15-26)17-28-18-22-10-13-25(29)16-22/h2-9,11-12,14-15,22,28H,10,13,16-19H2,1H3
InChIKeyIQCSPDOJSBVGCG-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[2-methyl-3-[2-methyl-3-[4-[2-[[(1R)-3-oxocyclopentyl]methylamino]ethoxy]phenyl]phenyl]phenyl]methoxy]phenyl]-2-(hydroxymethyl)-2-methylbutanoic acid
CID 159336379
1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine
CID 141092244
4-[[3-methyl-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]butan-2-one
CID 121460110
2-(cyclopropylmethylamino)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide
CID 119810548
N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 130316749
trans-(1S,2S)-2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]cyclopentan-1-ol
CID 121452770
N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 175373507
4-[[[4-[[3-[3-[[3,5-dimethoxy-4-[[(4-oxoazetidin-2-yl)methylamino]methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2,6-dimethoxyphenyl]methylamino]methyl]azetidin-2-one
CID 134240621
5-[[4-chloro-5-[[2-methyl-3-[2-methyl-3-[4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]phenyl]phenyl]methoxy]-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenoxy]methyl]pyridine-3-carbonitrile
CID 142460116
N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S,3S)-5-oxo-4-azaspiro[2.4]heptan-2-yl]oxy]phenyl]methylamino]ethyl]acetamide
CID 144947421
(2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 121452790
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one?
The IUPAC name of 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one (CID 158773052) is 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one.
What is the SMILES notation for 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one?
The canonical SMILES for 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one is Cc1c(COc2ccc(CNCC3CCC(=O)C3)cc2)cccc1-c1ccccc1.
What is the InChIKey of 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one?
The InChIKey is IQCSPDOJSBVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-20-24(8-5-9-27(20)23-6-3-2-4-7-23)19-30-26-14-11-21(12-15-26)17-28-18-22-10-13-25(29)16-22/h2-9,11-12,14-15,22,28H,10,13,16-19H2,1H3.
What are the key properties of 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one?
3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one has a molecular weight of 399.53 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one is sourced from PubChem (CID 158773052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).