2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine

C17H30N2O2 — CID 43830158

IUPAC2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
SMILESCCC(N(CC)CC)C(C)(N)c1cc(OC)ccc1OC
InChIInChI=1S/C17H30N2O2/c1-7-16(19(8-2)9-3)17(4,18)14-12-13(20-5)10-11-15(14)21-6/h10-12,16H,7-9,18H2,1-6H3
InChIKeyWSYWVQMTHSDQEQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.00
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine

2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine (PubChem CID 43830158) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
PubChem CID43830158
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
SMILESCCC(N(CC)CC)C(C)(N)c1cc(OC)ccc1OC
InChIInChI=1S/C17H30N2O2/c1-7-16(19(8-2)9-3)17(4,18)14-12-13(20-5)10-11-15(14)21-6/h10-12,16H,7-9,18H2,1-6H3
InChIKeyWSYWVQMTHSDQEQ-UHFFFAOYSA-N
XLogP3.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-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

2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 43830167
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
CID 43803580
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
CID 43830152
methyl 4-amino-3-(2,5-dimethoxyphenyl)-3-methylhexanoate
CID 66098150
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine (CID 43830158) is 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine is CCC(N(CC)CC)C(C)(N)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine?
The InChIKey is WSYWVQMTHSDQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-16(19(8-2)9-3)17(4,18)14-12-13(20-5)10-11-15(14)21-6/h10-12,16H,7-9,18H2,1-6H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine?
2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine is sourced from PubChem (CID 43830158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).