5-[2-(3-methylphenyl)ethylamino]pentan-1-ol

C14H23NO — CID 62315190

IUPAC5-[2-(3-methylphenyl)ethylamino]pentan-1-ol
SMILESCc1cccc(CCNCCCCCO)c1
InChIInChI=1S/C14H23NO/c1-13-6-5-7-14(12-13)8-10-15-9-3-2-4-11-16/h5-7,12,15-16H,2-4,8-11H2,1H3
InChIKeyXYWFYWKCTSFWCG-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.29
Rot. Bonds8

About 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol

5-[2-(3-methylphenyl)ethylamino]pentan-1-ol (PubChem CID 62315190) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(3-methylphenyl)ethylamino]pentan-1-ol
PubChem CID62315190
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-[2-(3-methylphenyl)ethylamino]pentan-1-ol
SMILESCc1cccc(CCNCCCCCO)c1
InChIInChI=1S/C14H23NO/c1-13-6-5-7-14(12-13)8-10-15-9-3-2-4-11-16/h5-7,12,15-16H,2-4,8-11H2,1H3
InChIKeyXYWFYWKCTSFWCG-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.29
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

3-chloro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 115215880
4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
CID 115217835
4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 62936442
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
3,3,3-trifluoro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 64554820

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol (CID 62315190) is 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol is Cc1cccc(CCNCCCCCO)c1.
What is the InChIKey of 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol?
The InChIKey is XYWFYWKCTSFWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13-6-5-7-14(12-13)8-10-15-9-3-2-4-11-16/h5-7,12,15-16H,2-4,8-11H2,1H3.
What are the key properties of 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol?
5-[2-(3-methylphenyl)ethylamino]pentan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylphenyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 62315190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).