N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine

C17H21ClN2 — CID 54806636

IUPACN-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H21ClN2/c1-2-17(14-7-4-3-5-8-14)20-12-11-19-16-10-6-9-15(18)13-16/h3-10,13,17,19-20H,2,11-12H2,1H3
InChIKeyDPNHOWHQKUYKBF-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.49
Rot. Bonds7

About N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine

N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine (PubChem CID 54806636) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
PubChem CID54806636
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H21ClN2/c1-2-17(14-7-4-3-5-8-14)20-12-11-19-16-10-6-9-15(18)13-16/h3-10,13,17,19-20H,2,11-12H2,1H3
InChIKeyDPNHOWHQKUYKBF-UHFFFAOYSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.49
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

2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809490
N-[3-(3-methylbutoxy)phenyl]-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54808232
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
CID 112841756
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine (CID 54806636) is N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine is CCC(NCCNc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The InChIKey is DPNHOWHQKUYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-2-17(14-7-4-3-5-8-14)20-12-11-19-16-10-6-9-15(18)13-16/h3-10,13,17,19-20H,2,11-12H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 54806636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).