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

C11H17ClN2 — CID 82113445

IUPAC3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2/c1-9(7-8-13)14(2)11-5-3-10(12)4-6-11/h3-6,9H,7-8,13H2,1-2H3
InChIKeyJVBZMCGOYITKRL-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.51
Rot. Bonds4

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

3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine (PubChem CID 82113445) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine
PubChem CID82113445
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2/c1-9(7-8-13)14(2)11-5-3-10(12)4-6-11/h3-6,9H,7-8,13H2,1-2H3
InChIKeyJVBZMCGOYITKRL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine
CID 117040314
3-N-(3-chloro-2-methylphenyl)-3-N-methylbutane-1,3-diamine
CID 82115193
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine
CID 79718360
(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941055
3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine
CID 63225571
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
CID 63225574

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine (CID 82113445) is 3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is JVBZMCGOYITKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9(7-8-13)14(2)11-5-3-10(12)4-6-11/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine?
3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.51, 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-methylbutane-1,3-diamine is sourced from PubChem (CID 82113445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).