1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol

C17H27NO — CID 90045587

IUPAC1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol
SMILESCCC(O)Cc1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-17(19)12-15-9-6-10-16(11-15)18-13-14-7-4-3-5-8-14/h6,9-11,14,17-19H,2-5,7-8,12-13H2,1H3
InChIKeyMGFDCRMKIYSVPN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds6

About 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol

1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol (PubChem CID 90045587) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol.

Molecular Properties

Compound Name1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol
PubChem CID90045587
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol
SMILESCCC(O)Cc1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-17(19)12-15-9-6-10-16(11-15)18-13-14-7-4-3-5-8-14/h6,9-11,14,17-19H,2-5,7-8,12-13H2,1H3
InChIKeyMGFDCRMKIYSVPN-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
1-[3-(cyclohexylmethylamino)phenyl]-2,2-dideuteriobutan-1-ol
CID 90337050
N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline
CID 71192487
3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol
CID 59316933
3-[3-(cyclohexylmethylamino)phenyl]-3-hydroxy-2-methylpropanenitrile
CID 67296430
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol?
The IUPAC name of 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol (CID 90045587) is 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol.
What is the SMILES notation for 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol?
The canonical SMILES for 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol is CCC(O)Cc1cccc(NCC2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol?
The InChIKey is MGFDCRMKIYSVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-17(19)12-15-9-6-10-16(11-15)18-13-14-7-4-3-5-8-14/h6,9-11,14,17-19H,2-5,7-8,12-13H2,1H3.
What are the key properties of 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol?
1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol is sourced from PubChem (CID 90045587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).