2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol

C19H31NO — CID 82316057

IUPAC2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)C(C)NC2CCCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-8-16-11-13-17(14-12-16)19(21)15(2)20-18-9-6-4-5-7-10-18/h11-15,18-21H,3-10H2,1-2H3
InChIKeyXTYYSQSUSUHSGW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.37
Rot. Bonds6

About 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol

2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol (PubChem CID 82316057) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
PubChem CID82316057
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)C(C)NC2CCCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-8-16-11-13-17(14-12-16)19(21)15(2)20-18-9-6-4-5-7-10-18/h11-15,18-21H,3-10H2,1-2H3
InChIKeyXTYYSQSUSUHSGW-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
CID 112514142
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043
1-(4-butylphenyl)-N'-cyclohexylmethanediamine
CID 175117275
1-[chloro(cyclohexyl)methyl]-4-propylbenzene
CID 63432346
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol?
The IUPAC name of 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol (CID 82316057) is 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol?
The canonical SMILES for 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol is CCCc1ccc(C(O)C(C)NC2CCCCCC2)cc1.
What is the InChIKey of 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol?
The InChIKey is XTYYSQSUSUHSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-8-16-11-13-17(14-12-16)19(21)15(2)20-18-9-6-4-5-7-10-18/h11-15,18-21H,3-10H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol?
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol is sourced from PubChem (CID 82316057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).