3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine

C12H19ClN2 — CID 115134535

IUPAC3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
SMILESCN(c1ccc(Cl)cc1)C(C)(C)CCN
InChIInChI=1S/C12H19ClN2/c1-12(2,8-9-14)15(3)11-6-4-10(13)5-7-11/h4-7H,8-9,14H2,1-3H3
InChIKeyOYEWNWBSDFCBSE-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.90
Rot. Bonds4

About 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine

3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine (PubChem CID 115134535) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
PubChem CID115134535
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
SMILESCN(c1ccc(Cl)cc1)C(C)(C)CCN
InChIInChI=1S/C12H19ClN2/c1-12(2,8-9-14)15(3)11-6-4-10(13)5-7-11/h4-7H,8-9,14H2,1-3H3
InChIKeyOYEWNWBSDFCBSE-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-chloro-4-fluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134602
3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134569
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
3-N,3-dimethyl-3-N-(2-methyl-1,3-benzoxazol-6-yl)butane-1,3-diamine
CID 115134610
2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115596113
3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
CID 115134562
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine
CID 82113445
4-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63982027
2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132617

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine (CID 115134535) is 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine is CN(c1ccc(Cl)cc1)C(C)(C)CCN.
What is the InChIKey of 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The InChIKey is OYEWNWBSDFCBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-12(2,8-9-14)15(3)11-6-4-10(13)5-7-11/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine?
3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115134535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).