N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C17H21ClN2 — CID 65377098

IUPACN-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-12(2)13-7-9-14(10-8-13)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,11,19H2,1-2H3
InChIKeyMSJYWFVNQJMAPE-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.58
Rot. Bonds5

About N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 65377098) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID65377098
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-12(2)13-7-9-14(10-8-13)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,11,19H2,1-2H3
InChIKeyMSJYWFVNQJMAPE-UHFFFAOYSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65379394
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
2-N-(2-chlorophenyl)butane-1,2-diamine
CID 65377716
2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine
CID 65379401

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 65377098) is N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CC(C)c1ccc(C(CN)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is MSJYWFVNQJMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12(2)13-7-9-14(10-8-13)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,11,19H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).