3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine

C15H26N2O — CID 79409048

IUPAC3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-12(10-16-3)13(2)17(4)11-14-6-8-15(18-5)9-7-14/h6-9,12-13,16H,10-11H2,1-5H3
InChIKeyDALPVICJTUKDSV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.37
Rot. Bonds7

About 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine

3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine (PubChem CID 79409048) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine
PubChem CID79409048
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-12(10-16-3)13(2)17(4)11-14-6-8-15(18-5)9-7-14/h6-9,12-13,16H,10-11H2,1-5H3
InChIKeyDALPVICJTUKDSV-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62570719
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 81016213
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64708022
3-N-[(4-bromophenyl)methyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011392
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
3-N,2-dimethyl-3-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,3-diamine
CID 79414500
1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054292
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 61420505
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine (CID 79409048) is 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine is CNCC(C)C(C)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine?
The InChIKey is DALPVICJTUKDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(10-16-3)13(2)17(4)11-14-6-8-15(18-5)9-7-14/h6-9,12-13,16H,10-11H2,1-5H3.
What are the key properties of 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine?
3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 79409048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).