N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine

C12H19ClN2 — CID 62980472

IUPACN'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCC(c1ccc(Cl)cc1)N(C)CCCN
InChIInChI=1S/C12H19ClN2/c1-10(15(2)9-3-8-14)11-4-6-12(13)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyDIYFXUXCNYNIRV-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.68
Rot. Bonds5

About N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine

N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 62980472) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID62980472
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCC(c1ccc(Cl)cc1)N(C)CCCN
InChIInChI=1S/C12H19ClN2/c1-10(15(2)9-3-8-14)11-4-6-12(13)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyDIYFXUXCNYNIRV-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
N'-methyl-N'-(1-phenylethyl)butane-1,4-diamine
CID 112509797
N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62983848
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 81313613
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
CID 55142601
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine (CID 62980472) is N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine is CC(c1ccc(Cl)cc1)N(C)CCCN.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is DIYFXUXCNYNIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-10(15(2)9-3-8-14)11-4-6-12(13)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3.
What are the key properties of N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine?
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).