3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine

C16H27ClN2 — CID 84752089

IUPAC3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)C(C)(CN)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2/c1-4-10-19(11-5-2)16(3,13-18)12-14-6-8-15(17)9-7-14/h6-9H,4-5,10-13,18H2,1-3H3
InChIKeyLCHDTJLVNXIAKS-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.72
Rot. Bonds8

About 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine

3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine (PubChem CID 84752089) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
PubChem CID84752089
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)C(C)(CN)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2/c1-4-10-19(11-5-2)16(3,13-18)12-14-6-8-15(17)9-7-14/h6-9H,4-5,10-13,18H2,1-3H3
InChIKeyLCHDTJLVNXIAKS-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine (CID 84752089) is 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine is CCCN(CCC)C(C)(CN)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The InChIKey is LCHDTJLVNXIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-10-19(11-5-2)16(3,13-18)12-14-6-8-15(17)9-7-14/h6-9H,4-5,10-13,18H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine is sourced from PubChem (CID 84752089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).