N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine

C14H23ClN2O — CID 143421748

IUPACN'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine
SMILESCNCC(C)CCN(C)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H23ClN2O/c1-11(10-16-2)7-8-17(3)12-5-6-13(15)14(9-12)18-4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyBKMQUNJQUZXVFR-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.03
Rot. Bonds7

About N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine

N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine (PubChem CID 143421748) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine
PubChem CID143421748
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine
SMILESCNCC(C)CCN(C)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H23ClN2O/c1-11(10-16-2)7-8-17(3)12-5-6-13(15)14(9-12)18-4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyBKMQUNJQUZXVFR-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-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

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine (CID 143421748) is N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine is CNCC(C)CCN(C)c1ccc(Cl)c(OC)c1.
What is the InChIKey of N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine?
The InChIKey is BKMQUNJQUZXVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-11(10-16-2)7-8-17(3)12-5-6-13(15)14(9-12)18-4/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine?
N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine has a molecular weight of 270.80 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-methoxyphenyl)-N,N',2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 143421748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).