1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol

C19H31NO — CID 107876214

IUPAC1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
SMILESCC(C)C(CNCC1(O)CCCCCC1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-16(2)18(17-10-6-5-7-11-17)14-20-15-19(21)12-8-3-4-9-13-19/h5-7,10-11,16,18,20-21H,3-4,8-9,12-15H2,1-2H3
InChIKeyABCHCPISWGMDKN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.10
Rot. Bonds6

About 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol

1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol (PubChem CID 107876214) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
PubChem CID107876214
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
SMILESCC(C)C(CNCC1(O)CCCCCC1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-16(2)18(17-10-6-5-7-11-17)14-20-15-19(21)12-8-3-4-9-13-19/h5-7,10-11,16,18,20-21H,3-4,8-9,12-15H2,1-2H3
InChIKeyABCHCPISWGMDKN-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol
CID 112742137
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol
CID 65108630
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
1-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]cycloheptan-1-ol
CID 107442354

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol (CID 107876214) is 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol is CC(C)C(CNCC1(O)CCCCCC1)c1ccccc1.
What is the InChIKey of 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is ABCHCPISWGMDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-16(2)18(17-10-6-5-7-11-17)14-20-15-19(21)12-8-3-4-9-13-19/h5-7,10-11,16,18,20-21H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol?
1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 107876214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).