1H-azepine;3-phenylpropan-1-ol

C15H19NO — CID 174388781

IUPAC1H-azepine;3-phenylpropan-1-ol
SMILESC1=CC=CNC=C1.OCCCc1ccccc1
InChIInChI=1S/C9H12O.C6H7N/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-6-7-5-3-1/h1-3,5-6,10H,4,7-8H2;1-7H
InChIKeyCPOHEXIOTSTMJZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.78
Rot. Bonds3

About 1H-azepine;3-phenylpropan-1-ol

1H-azepine;3-phenylpropan-1-ol (PubChem CID 174388781) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1H-azepine;3-phenylpropan-1-ol.

Molecular Properties

Compound Name1H-azepine;3-phenylpropan-1-ol
PubChem CID174388781
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1H-azepine;3-phenylpropan-1-ol
SMILESC1=CC=CNC=C1.OCCCc1ccccc1
InChIInChI=1S/C9H12O.C6H7N/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-6-7-5-3-1/h1-3,5-6,10H,4,7-8H2;1-7H
InChIKeyCPOHEXIOTSTMJZ-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
isocyanic acid;3-phenylpropan-1-ol
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3-bromopropylbenzene;6-phenylhexan-1-ol
CID 157464823
4-phenylbutylbenzene
CID 141301927
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
furan-2-carboxylic acid;3-phenylpropan-1-ol
CID 174709444
4-(4-phenylphenyl)butan-1-ol
CID 11970468

Frequently Asked Questions

What is the IUPAC name of 1H-azepine;3-phenylpropan-1-ol?
The IUPAC name of 1H-azepine;3-phenylpropan-1-ol (CID 174388781) is 1H-azepine;3-phenylpropan-1-ol.
What is the SMILES notation for 1H-azepine;3-phenylpropan-1-ol?
The canonical SMILES for 1H-azepine;3-phenylpropan-1-ol is C1=CC=CNC=C1.OCCCc1ccccc1.
What is the InChIKey of 1H-azepine;3-phenylpropan-1-ol?
The InChIKey is CPOHEXIOTSTMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C6H7N/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-6-7-5-3-1/h1-3,5-6,10H,4,7-8H2;1-7H.
What are the key properties of 1H-azepine;3-phenylpropan-1-ol?
1H-azepine;3-phenylpropan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;3-phenylpropan-1-ol is sourced from PubChem (CID 174388781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).