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

C17H21ClN2 — CID 54805498

IUPACN-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccccc1NCCNc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-13(2)16-5-3-4-6-17(16)20-12-11-19-15-9-7-14(18)8-10-15/h3-10,13,19-20H,11-12H2,1-2H3
InChIKeyIUHPHWYZMITJQL-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.99
Rot. Bonds6

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

N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 54805498) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID54805498
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccccc1NCCNc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-13(2)16-5-3-4-6-17(16)20-12-11-19-15-9-7-14(18)8-10-15/h3-10,13,19-20H,11-12H2,1-2H3
InChIKeyIUHPHWYZMITJQL-UHFFFAOYSA-N
XLogP4.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
N-(2-chloroethyl)-2-propan-2-ylaniline
CID 82112244
N-(3-chloro-2-methylphenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54807478
2-(2-propan-2-ylanilino)ethanol
CID 28574084
N-pentyl-2-propan-2-ylaniline
CID 29268175
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258
N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54806994
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
N-[(3-chloro-5-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 114452114

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine (CID 54805498) is N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine is CC(C)c1ccccc1NCCNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is IUHPHWYZMITJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13(2)16-5-3-4-6-17(16)20-12-11-19-15-9-7-14(18)8-10-15/h3-10,13,19-20H,11-12H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine?
N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).