2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol

C20H27NO2 — CID 54856739

IUPAC2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol
SMILESCC(C)Oc1ccccc1CN(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-15(2)23-19-13-9-8-12-18(19)14-21(4)16(3)20(22)17-10-6-5-7-11-17/h5-13,15-16,20,22H,14H2,1-4H3
InChIKeyLPXUDYRNVLHAJH-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.03
Rot. Bonds7

About 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol

2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol (PubChem CID 54856739) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol
PubChem CID54856739
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol
SMILESCC(C)Oc1ccccc1CN(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-15(2)23-19-13-9-8-12-18(19)14-21(4)16(3)20(22)17-10-6-5-7-11-17/h5-13,15-16,20,22H,14H2,1-4H3
InChIKeyLPXUDYRNVLHAJH-UHFFFAOYSA-N
XLogP4.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
3-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
CID 119911747
(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol
CID 101122939
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol
CID 15496455
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol (CID 54856739) is 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol is CC(C)Oc1ccccc1CN(C)C(C)C(O)c1ccccc1.
What is the InChIKey of 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol?
The InChIKey is LPXUDYRNVLHAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-15(2)23-19-13-9-8-12-18(19)14-21(4)16(3)20(22)17-10-6-5-7-11-17/h5-13,15-16,20,22H,14H2,1-4H3.
What are the key properties of 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol?
2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol has a molecular weight of 313.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 54856739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).