N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine

C12H17ClN2 — CID 104721795

IUPACN-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
SMILESCc1ccc(NC(CN)C2CC2)cc1Cl
InChIInChI=1S/C12H17ClN2/c1-8-2-5-10(6-11(8)13)15-12(7-14)9-3-4-9/h2,5-6,9,12,15H,3-4,7,14H2,1H3
InChIKeyIZSODBFVYCLSSJ-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.80
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine

N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine (PubChem CID 104721795) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
PubChem CID104721795
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
SMILESCc1ccc(NC(CN)C2CC2)cc1Cl
InChIInChI=1S/C12H17ClN2/c1-8-2-5-10(6-11(8)13)15-12(7-14)9-3-4-9/h2,5-6,9,12,15H,3-4,7,14H2,1H3
InChIKeyIZSODBFVYCLSSJ-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
CID 104721878
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine
CID 104721689
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 107582921
N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine
CID 104721773
N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65378828
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine (CID 104721795) is N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine is Cc1ccc(NC(CN)C2CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine?
The InChIKey is IZSODBFVYCLSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8-2-5-10(6-11(8)13)15-12(7-14)9-3-4-9/h2,5-6,9,12,15H,3-4,7,14H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine?
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine has a molecular weight of 224.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 104721795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).