3-methyl-6-phenylmethoxyhexan-2-amine

C14H23NO — CID 130588586

IUPAC3-methyl-6-phenylmethoxyhexan-2-amine
SMILESCC(N)C(C)CCCOCc1ccccc1
InChIInChI=1S/C14H23NO/c1-12(13(2)15)7-6-10-16-11-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11,15H2,1-2H3
InChIKeyAYSMXLBBBBDYKT-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds7

About 3-methyl-6-phenylmethoxyhexan-2-amine

3-methyl-6-phenylmethoxyhexan-2-amine (PubChem CID 130588586) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-6-phenylmethoxyhexan-2-amine.

Molecular Properties

Compound Name3-methyl-6-phenylmethoxyhexan-2-amine
PubChem CID130588586
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-6-phenylmethoxyhexan-2-amine
SMILESCC(N)C(C)CCCOCc1ccccc1
InChIInChI=1S/C14H23NO/c1-12(13(2)15)7-6-10-16-11-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11,15H2,1-2H3
InChIKeyAYSMXLBBBBDYKT-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
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-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692
1-cyclopropyl-4-phenylmethoxybutan-1-amine
CID 130537024
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
(4-chloro-6-methylheptoxy)methylbenzene
CID 130537115
1-methoxy-6-phenylmethoxyhexan-2-amine
CID 130588590
(3S,4S,5S,6R)-4,6-dimethyl-10-phenylmethoxydecane-1,3,5-triol
CID 102077009
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenylmethoxyhexan-2-amine?
The IUPAC name of 3-methyl-6-phenylmethoxyhexan-2-amine (CID 130588586) is 3-methyl-6-phenylmethoxyhexan-2-amine.
What is the SMILES notation for 3-methyl-6-phenylmethoxyhexan-2-amine?
The canonical SMILES for 3-methyl-6-phenylmethoxyhexan-2-amine is CC(N)C(C)CCCOCc1ccccc1.
What is the InChIKey of 3-methyl-6-phenylmethoxyhexan-2-amine?
The InChIKey is AYSMXLBBBBDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(13(2)15)7-6-10-16-11-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11,15H2,1-2H3.
What are the key properties of 3-methyl-6-phenylmethoxyhexan-2-amine?
3-methyl-6-phenylmethoxyhexan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenylmethoxyhexan-2-amine is sourced from PubChem (CID 130588586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).