1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine

C14H24N2O2 — CID 116934724

IUPAC1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
SMILESCOc1ccc(OC)c(C(N)CCC(C)(C)N)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,16)8-7-12(15)11-9-10(17-3)5-6-13(11)18-4/h5-6,9,12H,7-8,15-16H2,1-4H3
InChIKeySOAAAKRCVXHPGY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.22
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine

1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine (PubChem CID 116934724) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
PubChem CID116934724
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
SMILESCOc1ccc(OC)c(C(N)CCC(C)(C)N)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,16)8-7-12(15)11-9-10(17-3)5-6-13(11)18-4/h5-6,9,12H,7-8,15-16H2,1-4H3
InChIKeySOAAAKRCVXHPGY-UHFFFAOYSA-N
XLogP2.22
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-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-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 116933842
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008
1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 79197544
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(1S)-4,4,4-trifluoro-1-(2-fluoro-5-methoxyphenyl)butan-1-amine;hydrochloride
CID 171229245
1-(2-bromo-5-methoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 105156340

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine (CID 116934724) is 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine is COc1ccc(OC)c(C(N)CCC(C)(C)N)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine?
The InChIKey is SOAAAKRCVXHPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,16)8-7-12(15)11-9-10(17-3)5-6-13(11)18-4/h5-6,9,12H,7-8,15-16H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine?
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine is sourced from PubChem (CID 116934724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).