(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol

C16H25NO — CID 149151230

IUPAC(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NC1CCCCCC1)C(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(16(18)14-9-5-4-6-10-14)17-15-11-7-2-3-8-12-15/h4-6,9-10,13,15-18H,2-3,7-8,11-12H2,1H3/t13-,16?/m0/s1
InChIKeyRVSXKRIWJOUTAJ-KNVGNIICSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds4

About (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol

(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol (PubChem CID 149151230) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
PubChem CID149151230
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NC1CCCCCC1)C(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(16(18)14-9-5-4-6-10-14)17-15-11-7-2-3-8-12-15/h4-6,9-10,13,15-18H,2-3,7-8,11-12H2,1H3/t13-,16?/m0/s1
InChIKeyRVSXKRIWJOUTAJ-KNVGNIICSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
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2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945
2-(cyclohexylamino)-1-phenylbutan-1-ol
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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 (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol (CID 149151230) is (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol is C[C@H](NC1CCCCCC1)C(O)c1ccccc1.
What is the InChIKey of (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol?
The InChIKey is RVSXKRIWJOUTAJ-KNVGNIICSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(16(18)14-9-5-4-6-10-14)17-15-11-7-2-3-8-12-15/h4-6,9-10,13,15-18H,2-3,7-8,11-12H2,1H3/t13-,16?/m0/s1.
What are the key properties of (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol?
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 149151230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).