3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

C14H24N2O — CID 54963960

IUPAC3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOc1ccccc1CNC(C)CCN(C)C
InChIInChI=1S/C14H24N2O/c1-12(9-10-16(2)3)15-11-13-7-5-6-8-14(13)17-4/h5-8,12,15H,9-11H2,1-4H3
InChIKeyLYEOKAVITOZYSU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.12
Rot. Bonds7

About 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 54963960) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID54963960
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOc1ccccc1CNC(C)CCN(C)C
InChIInChI=1S/C14H24N2O/c1-12(9-10-16(2)3)15-11-13-7-5-6-8-14(13)17-4/h5-8,12,15H,9-11H2,1-4H3
InChIKeyLYEOKAVITOZYSU-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107710311
4-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]butan-2-amine
CID 104794935
2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
CID 65487789
1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 82945948
(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 129369537

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 54963960) is 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is COc1ccccc1CNC(C)CCN(C)C.
What is the InChIKey of 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is LYEOKAVITOZYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(9-10-16(2)3)15-11-13-7-5-6-8-14(13)17-4/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 54963960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).