(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol

C17H27NO — CID 95510992

IUPAC(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NC1CCCCCCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(17(19)15-10-6-5-7-11-15)18-16-12-8-3-2-4-9-13-16/h5-7,10-11,14,16-19H,2-4,8-9,12-13H2,1H3/t14-,17+/m0/s1
InChIKeyPDTYNWCZEREJGC-WMLDXEAASA-N
MW261.41 g/mol
LogP3.81
Rot. Bonds4

About (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol

(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol (PubChem CID 95510992) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
PubChem CID95510992
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NC1CCCCCCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(17(19)15-10-6-5-7-11-15)18-16-12-8-3-2-4-9-13-16/h5-7,10-11,14,16-19H,2-4,8-9,12-13H2,1H3/t14-,17+/m0/s1
InChIKeyPDTYNWCZEREJGC-WMLDXEAASA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945
2-(cyclohexylamino)-1-phenylbutan-1-ol
CID 82312145
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316057
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
N-(1-phenylethyl)cyclododecanamine
CID 60662638
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol (CID 95510992) is (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol is C[C@H](NC1CCCCCCC1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol?
The InChIKey is PDTYNWCZEREJGC-WMLDXEAASA-N. The full InChI is InChI=1S/C17H27NO/c1-14(17(19)15-10-6-5-7-11-15)18-16-12-8-3-2-4-9-13-16/h5-7,10-11,14,16-19H,2-4,8-9,12-13H2,1H3/t14-,17+/m0/s1.
What are the key properties of (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol?
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 95510992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).