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

C14H23ClN2 — CID 61429742

IUPAC1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-11(2)8-9-17(3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyGGOSLGLYBUEZIA-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.32
Rot. Bonds6

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

1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 61429742) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
PubChem CID61429742
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-11(2)8-9-17(3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyGGOSLGLYBUEZIA-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 106817310
N-methyl-N-(3-methylbutyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822189
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206890
3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914743
1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61425409
1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568908
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
CID 113499536
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 61414691

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine (CID 61429742) is 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(C)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is GGOSLGLYBUEZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-11(2)8-9-17(3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 61429742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).