1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine

C14H23ClN2 — CID 55018949

IUPAC1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(c1ccccc1Cl)C(C)N
InChIInChI=1S/C14H23ClN2/c1-4-5-10-17(3)14(11(2)16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyCWQXFYOEBGATLV-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.46
Rot. Bonds6

About 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine

1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 55018949) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
PubChem CID55018949
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(c1ccccc1Cl)C(C)N
InChIInChI=1S/C14H23ClN2/c1-4-5-10-17(3)14(11(2)16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyCWQXFYOEBGATLV-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
CID 55023020
1-N-butyl-1-(2-chlorophenyl)-1-N-cyclopropylpropane-1,2-diamine
CID 55022321
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022414
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
CID 114948474
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine (CID 55018949) is 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine is CCCCN(C)C(c1ccccc1Cl)C(C)N.
What is the InChIKey of 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is CWQXFYOEBGATLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-5-10-17(3)14(11(2)16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3.
What are the key properties of 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine?
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55018949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).