3-(2-amino-5-methylphenyl)propan-1-ol

C10H15NO — CID 58554503

IUPAC3-(2-amino-5-methylphenyl)propan-1-ol
SMILESCc1ccc(N)c(CCCO)c1
InChIInChI=1S/C10H15NO/c1-8-4-5-10(11)9(7-8)3-2-6-12/h4-5,7,12H,2-3,6,11H2,1H3
InChIKeyLBGWZXQUWDLIHB-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.50
Rot. Bonds3

About 3-(2-amino-5-methylphenyl)propan-1-ol

3-(2-amino-5-methylphenyl)propan-1-ol (PubChem CID 58554503) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-methylphenyl)propan-1-ol
PubChem CID58554503
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(2-amino-5-methylphenyl)propan-1-ol
SMILESCc1ccc(N)c(CCCO)c1
InChIInChI=1S/C10H15NO/c1-8-4-5-10(11)9(7-8)3-2-6-12/h4-5,7,12H,2-3,6,11H2,1H3
InChIKeyLBGWZXQUWDLIHB-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-phenylpropyl)aniline
CID 67787992
benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
CID 174915538
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
4-methyl-2-(3-phosphanylidenebutyl)aniline
CID 90836095
2-(3-ethylpent-3-enyl)-4-methylaniline
CID 91048575
2-(2,5-diaminophenyl)ethanol
CID 160672831
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
3-amino-4-(3-hydroxypropyl)phenol
CID 67360717
3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
CID 83945302
3-(4-amino-3,5-dimethylphenyl)propan-1-ol
CID 22472438
3-(3-chloro-2,5-dimethylphenyl)propan-1-ol
CID 117288127
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2-amino-5-methylphenyl)propan-1-ol (CID 58554503) is 3-(2-amino-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-amino-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-amino-5-methylphenyl)propan-1-ol is Cc1ccc(N)c(CCCO)c1.
What is the InChIKey of 3-(2-amino-5-methylphenyl)propan-1-ol?
The InChIKey is LBGWZXQUWDLIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-5-10(11)9(7-8)3-2-6-12/h4-5,7,12H,2-3,6,11H2,1H3.
What are the key properties of 3-(2-amino-5-methylphenyl)propan-1-ol?
3-(2-amino-5-methylphenyl)propan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 58554503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).