2-benzyl-6-methoxyhexan-1-amine

C14H23NO — CID 104649139

IUPAC2-benzyl-6-methoxyhexan-1-amine
SMILESCOCCCCC(CN)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-16-10-6-5-9-14(12-15)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,15H2,1H3
InChIKeyQPYSBGLOXZXUFS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.62
Rot. Bonds8

About 2-benzyl-6-methoxyhexan-1-amine

2-benzyl-6-methoxyhexan-1-amine (PubChem CID 104649139) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-benzyl-6-methoxyhexan-1-amine.

Molecular Properties

Compound Name2-benzyl-6-methoxyhexan-1-amine
PubChem CID104649139
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-benzyl-6-methoxyhexan-1-amine
SMILESCOCCCCC(CN)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-16-10-6-5-9-14(12-15)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,15H2,1H3
InChIKeyQPYSBGLOXZXUFS-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.62
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

[2-(bromomethyl)-6-methoxyhexyl]benzene
CID 104650695
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
5-methoxy-1-phenylpentan-2-amine
CID 62608693
2-benzyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591378
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
[2-(chloromethyl)-4-methoxybutyl]benzene
CID 66034058
(2R)-2-benzylbutan-1-amine
CID 42325983

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methoxyhexan-1-amine?
The IUPAC name of 2-benzyl-6-methoxyhexan-1-amine (CID 104649139) is 2-benzyl-6-methoxyhexan-1-amine.
What is the SMILES notation for 2-benzyl-6-methoxyhexan-1-amine?
The canonical SMILES for 2-benzyl-6-methoxyhexan-1-amine is COCCCCC(CN)Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-methoxyhexan-1-amine?
The InChIKey is QPYSBGLOXZXUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-16-10-6-5-9-14(12-15)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,15H2,1H3.
What are the key properties of 2-benzyl-6-methoxyhexan-1-amine?
2-benzyl-6-methoxyhexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxyhexan-1-amine is sourced from PubChem (CID 104649139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).