6-phenoxy-2-phenylhexan-1-amine

C18H23NO — CID 79015445

IUPAC6-phenoxy-2-phenylhexan-1-amine
SMILESNCC(CCCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c19-15-17(16-9-3-1-4-10-16)11-7-8-14-20-18-12-5-2-6-13-18/h1-6,9-10,12-13,17H,7-8,11,14-15,19H2
InChIKeyJRYODBUOAYFAMB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds8

About 6-phenoxy-2-phenylhexan-1-amine

6-phenoxy-2-phenylhexan-1-amine (PubChem CID 79015445) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-phenoxy-2-phenylhexan-1-amine.

Molecular Properties

Compound Name6-phenoxy-2-phenylhexan-1-amine
PubChem CID79015445
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name6-phenoxy-2-phenylhexan-1-amine
SMILESNCC(CCCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c19-15-17(16-9-3-1-4-10-16)11-7-8-14-20-18-12-5-2-6-13-18/h1-6,9-10,12-13,17H,7-8,11,14-15,19H2
InChIKeyJRYODBUOAYFAMB-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
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

4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138462
2-phenylpentane-1,5-diamine
CID 22770284
3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138453
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
2-phenylundecan-1-amine
CID 57256894
2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306
2-phenylbutane-1,4-diamine
CID 16770348
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
2-phenyldec-9-en-1-amine
CID 107010668
4-(5-phenoxy-1-phenylpentyl)pyridine
CID 117067769

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-2-phenylhexan-1-amine?
The IUPAC name of 6-phenoxy-2-phenylhexan-1-amine (CID 79015445) is 6-phenoxy-2-phenylhexan-1-amine.
What is the SMILES notation for 6-phenoxy-2-phenylhexan-1-amine?
The canonical SMILES for 6-phenoxy-2-phenylhexan-1-amine is NCC(CCCCOc1ccccc1)c1ccccc1.
What is the InChIKey of 6-phenoxy-2-phenylhexan-1-amine?
The InChIKey is JRYODBUOAYFAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c19-15-17(16-9-3-1-4-10-16)11-7-8-14-20-18-12-5-2-6-13-18/h1-6,9-10,12-13,17H,7-8,11,14-15,19H2.
What are the key properties of 6-phenoxy-2-phenylhexan-1-amine?
6-phenoxy-2-phenylhexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-2-phenylhexan-1-amine is sourced from PubChem (CID 79015445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).