4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol

C17H27NO — CID 106126000

IUPAC4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(CCc1ccccc1)NCC1CCC(O)CC1
InChIInChI=1S/C17H27NO/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17(19)12-10-16/h2-6,14,16-19H,7-13H2,1H3
InChIKeyKMTKAHHOSMDRGK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.15
Rot. Bonds6

About 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol

4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 106126000) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID106126000
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(CCc1ccccc1)NCC1CCC(O)CC1
InChIInChI=1S/C17H27NO/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17(19)12-10-16/h2-6,14,16-19H,7-13H2,1H3
InChIKeyKMTKAHHOSMDRGK-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
CID 103271353
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
CID 106135501
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
CID 104862000
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
2-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-one
CID 110176147
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol (CID 106126000) is 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol is CC(CCc1ccccc1)NCC1CCC(O)CC1.
What is the InChIKey of 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is KMTKAHHOSMDRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17(19)12-10-16/h2-6,14,16-19H,7-13H2,1H3.
What are the key properties of 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol?
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).