(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol

C16H25NO — CID 39350104

IUPAC(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
SMILESCc1ccc([C@H](O)CNC2CCCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13-8-10-14(11-9-13)16(18)12-17-15-6-4-2-3-5-7-15/h8-11,15-18H,2-7,12H2,1H3/t16-/m1/s1
InChIKeyYGSXSNGMTKXZKT-MRXNPFEDSA-N
MW247.38 g/mol
LogP3.34
Rot. Bonds4

About (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol

(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol (PubChem CID 39350104) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
PubChem CID39350104
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
SMILESCc1ccc([C@H](O)CNC2CCCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13-8-10-14(11-9-13)16(18)12-17-15-6-4-2-3-5-7-15/h8-11,15-18H,2-7,12H2,1H3/t16-/m1/s1
InChIKeyYGSXSNGMTKXZKT-MRXNPFEDSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
CID 111476604
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
1-(4-methylphenyl)-2-[[(1R,2R)-2-methylsulfonylcyclohexyl]amino]ethanol
CID 167775469
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
1-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)ethanol
CID 60896946

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol?
The IUPAC name of (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol (CID 39350104) is (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol?
The canonical SMILES for (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol is Cc1ccc([C@H](O)CNC2CCCCCC2)cc1.
What is the InChIKey of (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol?
The InChIKey is YGSXSNGMTKXZKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-10-14(11-9-13)16(18)12-17-15-6-4-2-3-5-7-15/h8-11,15-18H,2-7,12H2,1H3/t16-/m1/s1.
What are the key properties of (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol?
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 39350104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).