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

C15H26N2O — CID 62042937

IUPAC1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
SMILESCCCC(CN(C)Cc1cccc(OC)c1)NC
InChIInChI=1S/C15H26N2O/c1-5-7-14(16-2)12-17(3)11-13-8-6-9-15(10-13)18-4/h6,8-10,14,16H,5,7,11-12H2,1-4H3
InChIKeyIRSXABBAIRKBJG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

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

1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 62042937) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
PubChem CID62042937
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
SMILESCCCC(CN(C)Cc1cccc(OC)c1)NC
InChIInChI=1S/C15H26N2O/c1-5-7-14(16-2)12-17(3)11-13-8-6-9-15(10-13)18-4/h6,8-10,14,16H,5,7,11-12H2,1-4H3
InChIKeyIRSXABBAIRKBJG-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
CID 62624272
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607357
1-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519984

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine (CID 62042937) is 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine is CCCC(CN(C)Cc1cccc(OC)c1)NC.
What is the InChIKey of 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is IRSXABBAIRKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-14(16-2)12-17(3)11-13-8-6-9-15(10-13)18-4/h6,8-10,14,16H,5,7,11-12H2,1-4H3.
What are the key properties of 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine?
1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 62042937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).