1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine

C14H23ClN2 — CID 113416108

IUPAC1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
SMILESCC(N)C(C)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C14H23ClN2/c1-10(11(2)16)9-17(4)12(3)13-7-5-6-8-14(13)15/h5-8,10-12H,9,16H2,1-4H3
InChIKeyKKXGIEYRJWSBNW-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.32
Rot. Bonds5

About 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine

1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine (PubChem CID 113416108) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
PubChem CID113416108
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
SMILESCC(N)C(C)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C14H23ClN2/c1-10(11(2)16)9-17(4)12(3)13-7-5-6-8-14(13)15/h5-8,10-12H,9,16H2,1-4H3
InChIKeyKKXGIEYRJWSBNW-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 62980189
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 82770188

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine (CID 113416108) is 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine is CC(N)C(C)CN(C)C(C)c1ccccc1Cl.
What is the InChIKey of 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine?
The InChIKey is KKXGIEYRJWSBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-10(11(2)16)9-17(4)12(3)13-7-5-6-8-14(13)15/h5-8,10-12H,9,16H2,1-4H3.
What are the key properties of 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine?
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 113416108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).