1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine

C15H26N2O — CID 116904878

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOc1c(C)cc(C(CC(C)N)N(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-10-7-13(8-11(2)15(10)18-6)14(17(4)5)9-12(3)16/h7-8,12,14H,9,16H2,1-6H3
InChIKeyURXAMAMLTNZVAA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.65
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine

1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 116904878) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID116904878
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOc1c(C)cc(C(CC(C)N)N(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-10-7-13(8-11(2)15(10)18-6)14(17(4)5)9-12(3)16/h7-8,12,14H,9,16H2,1-6H3
InChIKeyURXAMAMLTNZVAA-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904772
1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 116905197
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196458
(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171211631
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904801
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine
CID 116915289
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 116904878) is 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine is COc1c(C)cc(C(CC(C)N)N(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is URXAMAMLTNZVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-7-13(8-11(2)15(10)18-6)14(17(4)5)9-12(3)16/h7-8,12,14H,9,16H2,1-6H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 116904878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).