2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine

C17H21ClN2 — CID 43830805

IUPAC2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
SMILESCN(C)C(c1ccccc1)C(C)(N)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-17(19,14-9-11-15(18)12-10-14)16(20(2)3)13-7-5-4-6-8-13/h4-12,16H,19H2,1-3H3
InChIKeyCULUTWOGTYSUOK-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine

2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine (PubChem CID 43830805) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
PubChem CID43830805
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
SMILESCN(C)C(c1ccccc1)C(C)(N)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-17(19,14-9-11-15(18)12-10-14)16(20(2)3)13-7-5-4-6-8-13/h4-12,16H,19H2,1-3H3
InChIKeyCULUTWOGTYSUOK-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine?
The IUPAC name of 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine (CID 43830805) is 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine is CN(C)C(c1ccccc1)C(C)(N)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine?
The InChIKey is CULUTWOGTYSUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-17(19,14-9-11-15(18)12-10-14)16(20(2)3)13-7-5-4-6-8-13/h4-12,16H,19H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine?
2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 43830805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).