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

C18H21ClN2 — CID 104721689

IUPACN-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cccc(C3CC3)c2)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-12-5-8-16(10-17(12)19)21-18(11-20)15-4-2-3-14(9-15)13-6-7-13/h2-5,8-10,13,18,21H,6-7,11,20H2,1H3
InChIKeyJLGCRGRHKVYAPZ-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.64
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine (PubChem CID 104721689) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine
PubChem CID104721689
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cccc(C3CC3)c2)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-12-5-8-16(10-17(12)19)21-18(11-20)15-4-2-3-14(9-15)13-6-7-13/h2-5,8-10,13,18,21H,6-7,11,20H2,1H3
InChIKeyJLGCRGRHKVYAPZ-UHFFFAOYSA-N
XLogP4.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
N-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 104721726
N-(3-chloro-4-methylphenyl)-1-[4-(methoxymethyl)phenyl]ethane-1,2-diamine
CID 104721868
1-(3-cyclopropylphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912347
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
CID 104721878
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine (CID 104721689) is N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine is Cc1ccc(NC(CN)c2cccc(C3CC3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine?
The InChIKey is JLGCRGRHKVYAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-12-5-8-16(10-17(12)19)21-18(11-20)15-4-2-3-14(9-15)13-6-7-13/h2-5,8-10,13,18,21H,6-7,11,20H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine?
N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine has a molecular weight of 300.83 g/mol, XLogP of 4.64, 5 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-(3-cyclopropylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 104721689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).