1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine

C11H17ClN2 — CID 11557554

IUPAC1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9/h3-6,11H,7-8,13H2,1-2H3
InChIKeyBHCWWKIOLOCHRY-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine

1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 11557554) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID11557554
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9/h3-6,11H,7-8,13H2,1-2H3
InChIKeyBHCWWKIOLOCHRY-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine (CID 11557554) is 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCC(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is BHCWWKIOLOCHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9/h3-6,11H,7-8,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine?
1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 11557554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).