(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol

C16H25NO — CID 103960186

IUPAC(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCCCCC1C
InChIInChI=1S/C16H25NO/c1-3-16(18)14-10-6-7-11-15(14)17-12-8-4-5-9-13(17)2/h6-7,10-11,13,16,18H,3-5,8-9,12H2,1-2H3/t13?,16-/m0/s1
InChIKeyXRLNGXMECZZQNU-VYIIXAMBSA-N
MW247.38 g/mol
LogP3.90
Rot. Bonds3

About (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol

(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol (PubChem CID 103960186) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol
PubChem CID103960186
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCCCCC1C
InChIInChI=1S/C16H25NO/c1-3-16(18)14-10-6-7-11-15(14)17-12-8-4-5-9-13(17)2/h6-7,10-11,13,16,18H,3-5,8-9,12H2,1-2H3/t13?,16-/m0/s1
InChIKeyXRLNGXMECZZQNU-VYIIXAMBSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 103959932
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CID 103960264
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
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CID 103960071
1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
CID 112677458
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CID 104690574
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
(1S)-1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]propan-1-ol
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(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-1-ol
CID 113358942
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
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1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol (CID 103960186) is (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N1CCCCCC1C.
What is the InChIKey of (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol?
The InChIKey is XRLNGXMECZZQNU-VYIIXAMBSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(18)14-10-6-7-11-15(14)17-12-8-4-5-9-13(17)2/h6-7,10-11,13,16,18H,3-5,8-9,12H2,1-2H3/t13?,16-/m0/s1.
What are the key properties of (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol?
(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).