6-methoxy-N-methyl-1-phenylhexan-3-amine

C14H23NO — CID 62602732

IUPAC6-methoxy-N-methyl-1-phenylhexan-3-amine
SMILESCNC(CCCOC)CCc1ccccc1
InChIInChI=1S/C14H23NO/c1-15-14(9-6-12-16-2)11-10-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKeyHHHBEXKVHGQCPF-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds8

About 6-methoxy-N-methyl-1-phenylhexan-3-amine

6-methoxy-N-methyl-1-phenylhexan-3-amine (PubChem CID 62602732) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-methoxy-N-methyl-1-phenylhexan-3-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-1-phenylhexan-3-amine
PubChem CID62602732
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-methoxy-N-methyl-1-phenylhexan-3-amine
SMILESCNC(CCCOC)CCc1ccccc1
InChIInChI=1S/C14H23NO/c1-15-14(9-6-12-16-2)11-10-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKeyHHHBEXKVHGQCPF-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 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 ≤ 52.63
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

1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
(6-methoxy-1-phenylhexan-3-yl)hydrazine
CID 105205746
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
CID 59877545
CID 59877545
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
CID 115646803
6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103010409
7-methoxy-N,7-dimethyl-1-phenyloctan-4-amine
CID 103032342
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-1-phenylhexan-3-amine?
The IUPAC name of 6-methoxy-N-methyl-1-phenylhexan-3-amine (CID 62602732) is 6-methoxy-N-methyl-1-phenylhexan-3-amine.
What is the SMILES notation for 6-methoxy-N-methyl-1-phenylhexan-3-amine?
The canonical SMILES for 6-methoxy-N-methyl-1-phenylhexan-3-amine is CNC(CCCOC)CCc1ccccc1.
What is the InChIKey of 6-methoxy-N-methyl-1-phenylhexan-3-amine?
The InChIKey is HHHBEXKVHGQCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15-14(9-6-12-16-2)11-10-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3.
What are the key properties of 6-methoxy-N-methyl-1-phenylhexan-3-amine?
6-methoxy-N-methyl-1-phenylhexan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-1-phenylhexan-3-amine is sourced from PubChem (CID 62602732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).