1-methoxy-6-phenylmethoxyhexan-2-amine

C14H23NO2 — CID 130588590

IUPAC1-methoxy-6-phenylmethoxyhexan-2-amine
SMILESCOCC(N)CCCCOCc1ccccc1
InChIInChI=1S/C14H23NO2/c1-16-12-14(15)9-5-6-10-17-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,15H2,1H3
InChIKeyQTOFFWUDPSREHL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.35
Rot. Bonds9

About 1-methoxy-6-phenylmethoxyhexan-2-amine

1-methoxy-6-phenylmethoxyhexan-2-amine (PubChem CID 130588590) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-methoxy-6-phenylmethoxyhexan-2-amine.

Molecular Properties

Compound Name1-methoxy-6-phenylmethoxyhexan-2-amine
PubChem CID130588590
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-methoxy-6-phenylmethoxyhexan-2-amine
SMILESCOCC(N)CCCCOCc1ccccc1
InChIInChI=1S/C14H23NO2/c1-16-12-14(15)9-5-6-10-17-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,15H2,1H3
InChIKeyQTOFFWUDPSREHL-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
triphenyl(12-phenylmethoxydodecyl)phosphanium
CID 11061139
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
azane;hexoxymethylbenzene
CID 174805489

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-phenylmethoxyhexan-2-amine?
The IUPAC name of 1-methoxy-6-phenylmethoxyhexan-2-amine (CID 130588590) is 1-methoxy-6-phenylmethoxyhexan-2-amine.
What is the SMILES notation for 1-methoxy-6-phenylmethoxyhexan-2-amine?
The canonical SMILES for 1-methoxy-6-phenylmethoxyhexan-2-amine is COCC(N)CCCCOCc1ccccc1.
What is the InChIKey of 1-methoxy-6-phenylmethoxyhexan-2-amine?
The InChIKey is QTOFFWUDPSREHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-16-12-14(15)9-5-6-10-17-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,15H2,1H3.
What are the key properties of 1-methoxy-6-phenylmethoxyhexan-2-amine?
1-methoxy-6-phenylmethoxyhexan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-phenylmethoxyhexan-2-amine is sourced from PubChem (CID 130588590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).