N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine

C14H23ClN2 — CID 55088831

IUPACN-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)CCNc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-12(2)8-10-17(3)11-9-16-14-6-4-13(15)5-7-14/h4-7,12,16H,8-11H2,1-3H3
InChIKeyPYNOSGQXZZSQND-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.73
Rot. Bonds7

About N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine

N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 55088831) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
PubChem CID55088831
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)CCNc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-12(2)8-10-17(3)11-9-16-14-6-4-13(15)5-7-14/h4-7,12,16H,8-11H2,1-3H3
InChIKeyPYNOSGQXZZSQND-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067873
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
N-(4-chlorophenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55163626
4-chloro-N-(3-methylpentyl)aniline
CID 173121721
N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63503741
N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine
CID 547568
4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62553684
N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63501696
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067875

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine (CID 55088831) is N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(C)CCNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is PYNOSGQXZZSQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-12(2)8-10-17(3)11-9-16-14-6-4-13(15)5-7-14/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 55088831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).