1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

C14H21ClN2 — CID 43568908

IUPAC1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-10(11-3-4-11)17(2)14(9-16)12-5-7-13(15)8-6-12/h5-8,10-11,14H,3-4,9,16H2,1-2H3
InChIKeyKMHVCQAUHSUSJE-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (PubChem CID 43568908) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
PubChem CID43568908
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-10(11-3-4-11)17(2)14(9-16)12-5-7-13(15)8-6-12/h5-8,10-11,14H,3-4,9,16H2,1-2H3
InChIKeyKMHVCQAUHSUSJE-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568912
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892
1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568969
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 43568902
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904
1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568967
N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 16786109
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206890
1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62003703
N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (CID 43568908) is 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is CC(C1CC1)N(C)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The InChIKey is KMHVCQAUHSUSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(11-3-4-11)17(2)14(9-16)12-5-7-13(15)8-6-12/h5-8,10-11,14H,3-4,9,16H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43568908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).