3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine

C14H23NO — CID 123976999

IUPAC3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
SMILESCOC(C)CCN(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-12-5-7-14(8-6-12)11-15(3)10-9-13(2)16-4/h5-8,13H,9-11H2,1-4H3
InChIKeyFHHYSYQKRNBIEA-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.85
Rot. Bonds6

About 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine

3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine (PubChem CID 123976999) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
PubChem CID123976999
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
SMILESCOC(C)CCN(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-12-5-7-14(8-6-12)11-15(3)10-9-13(2)16-4/h5-8,13H,9-11H2,1-4H3
InChIKeyFHHYSYQKRNBIEA-UHFFFAOYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 43398385
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 55085477
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 145315457
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine (CID 123976999) is 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine is COC(C)CCN(C)Cc1ccc(C)cc1.
What is the InChIKey of 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The InChIKey is FHHYSYQKRNBIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-5-7-14(8-6-12)11-15(3)10-9-13(2)16-4/h5-8,13H,9-11H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 123976999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).