1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

C14H21ClN2 — CID 43568892

IUPAC1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-10(11-6-7-11)17(2)14(9-16)12-4-3-5-13(15)8-12/h3-5,8,10-11,14H,6-7,9,16H2,1-2H3
InChIKeyPNUSKDMAFCFXFL-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (PubChem CID 43568892) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
PubChem CID43568892
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-10(11-6-7-11)17(2)14(9-16)12-4-3-5-13(15)8-12/h3-5,8,10-11,14H,6-7,9,16H2,1-2H3
InChIKeyPNUSKDMAFCFXFL-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-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568908
1-(3-chlorophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 55098457
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568969
1-(4-tert-butylphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568912
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 43568902
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835310
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
CID 55019790
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (CID 43568892) is 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is CC(C1CC1)N(C)C(CN)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The InChIKey is PNUSKDMAFCFXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(11-6-7-11)17(2)14(9-16)12-4-3-5-13(15)8-12/h3-5,8,10-11,14H,6-7,9,16H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
1-(3-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-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43568892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).