N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine

C15H25ClN2 — CID 54810001

IUPACN-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNc1cc(Cl)ccc1C
InChIInChI=1S/C15H25ClN2/c1-4-9-18(10-5-2)11-8-17-15-12-14(16)7-6-13(15)3/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyICYZNAOCWUIWJF-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.18
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine

N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 54810001) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine
PubChem CID54810001
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNc1cc(Cl)ccc1C
InChIInChI=1S/C15H25ClN2/c1-4-9-18(10-5-2)11-8-17-15-12-14(16)7-6-13(15)3/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyICYZNAOCWUIWJF-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-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

N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912
N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54806040
5-chloro-N-(2-ethylsulfanylethyl)-2-methylaniline
CID 115881982
3-(5-chloro-2-methylanilino)propanenitrile
CID 39239305
5-chloro-N-(3,3-dimethylbutyl)-2-methylaniline
CID 63420169
N'-butan-2-yl-N-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808537
N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 54809835
3-(5-chloro-2-methylanilino)propanethioamide
CID 82081464
N-(4-butoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808319
3-[2-(dipropylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 155599638
3-(5-chloro-2-methylanilino)-N-pentylpropanamide
CID 109032149
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine (CID 54810001) is N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is ICYZNAOCWUIWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-9-18(10-5-2)11-8-17-15-12-14(16)7-6-13(15)3/h6-7,12,17H,4-5,8-11H2,1-3H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine?
N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 54810001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).