N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine

C12H19ClN2 — CID 547568

IUPACN-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine
SMILESCC(CNc1ccc(Cl)cc1)CN(C)C
InChIInChI=1S/C12H19ClN2/c1-10(9-15(2)3)8-14-12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyWMGUGBLCOSAFPI-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.95
Rot. Bonds5

About N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine

N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine (PubChem CID 547568) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine
PubChem CID547568
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine
SMILESCC(CNc1ccc(Cl)cc1)CN(C)C
InChIInChI=1S/C12H19ClN2/c1-10(9-15(2)3)8-14-12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyWMGUGBLCOSAFPI-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-chlorophenyl)propane-1,2-diamine
CID 18972775
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
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N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 55088831
1-[4-[(4-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336503
4-chloro-N-(3-methylpentyl)aniline
CID 173121721
N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
CID 93225665
N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62411299
2-[(4-chloroanilino)methyl]butan-1-ol
CID 15086649
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
CID 60897390
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine (CID 547568) is N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine is CC(CNc1ccc(Cl)cc1)CN(C)C.
What is the InChIKey of N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine?
The InChIKey is WMGUGBLCOSAFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-10(9-15(2)3)8-14-12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine?
N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N',N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 547568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).