1-(4-methylphenyl)-5-phenoxypentan-2-amine

C18H23NO — CID 62936792

IUPAC1-(4-methylphenyl)-5-phenoxypentan-2-amine
SMILESCc1ccc(CC(N)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15-9-11-16(12-10-15)14-17(19)6-5-13-20-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-14,19H2,1H3
InChIKeyAFHGRHWRPGYIND-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.72
Rot. Bonds7

About 1-(4-methylphenyl)-5-phenoxypentan-2-amine

1-(4-methylphenyl)-5-phenoxypentan-2-amine (PubChem CID 62936792) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-phenoxypentan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-phenoxypentan-2-amine
PubChem CID62936792
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(4-methylphenyl)-5-phenoxypentan-2-amine
SMILESCc1ccc(CC(N)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15-9-11-16(12-10-15)14-17(19)6-5-13-20-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-14,19H2,1H3
InChIKeyAFHGRHWRPGYIND-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenoxy-1-phenylpentan-2-amine
CID 62935761
1-[2-(chloromethyl)-5-phenoxypentyl]-4-methylbenzene
CID 66034582
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
6-(4-methylphenoxy)hexan-3-amine
CID 106800758
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
5-methoxy-1-phenylpentan-2-amine
CID 62608693
1-(3-fluorophenyl)-5-phenoxypentan-2-amine
CID 62936292
4-(3-amino-6-phenoxyhexoxy)aniline
CID 20534953
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
1-(3,5-difluorophenyl)-4-phenoxybutan-2-amine
CID 115601755
(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-phenoxypentan-2-amine?
The IUPAC name of 1-(4-methylphenyl)-5-phenoxypentan-2-amine (CID 62936792) is 1-(4-methylphenyl)-5-phenoxypentan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-5-phenoxypentan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-5-phenoxypentan-2-amine is Cc1ccc(CC(N)CCCOc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-phenoxypentan-2-amine?
The InChIKey is AFHGRHWRPGYIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-9-11-16(12-10-15)14-17(19)6-5-13-20-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-14,19H2,1H3.
What are the key properties of 1-(4-methylphenyl)-5-phenoxypentan-2-amine?
1-(4-methylphenyl)-5-phenoxypentan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-phenoxypentan-2-amine is sourced from PubChem (CID 62936792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).