5-[1-(3-methylphenyl)ethylamino]pentan-1-ol

C14H23NO — CID 107303118

IUPAC5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
SMILESCc1cccc(C(C)NCCCCCO)c1
InChIInChI=1S/C14H23NO/c1-12-7-6-8-14(11-12)13(2)15-9-4-3-5-10-16/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3
InChIKeyKLWWNCGCVUUZFI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds7

About 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol

5-[1-(3-methylphenyl)ethylamino]pentan-1-ol (PubChem CID 107303118) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
PubChem CID107303118
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
SMILESCc1cccc(C(C)NCCCCCO)c1
InChIInChI=1S/C14H23NO/c1-12-7-6-8-14(11-12)13(2)15-9-4-3-5-10-16/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3
InChIKeyKLWWNCGCVUUZFI-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
N',N'-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 103993772
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
4-[1-(3-methylphenyl)ethylamino]butanoic acid
CID 60782836
5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine
CID 115496246
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol (CID 107303118) is 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol is Cc1cccc(C(C)NCCCCCO)c1.
What is the InChIKey of 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol?
The InChIKey is KLWWNCGCVUUZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-7-6-8-14(11-12)13(2)15-9-4-3-5-10-16/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3.
What are the key properties of 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol?
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylphenyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 107303118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).