N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine

C16H27ClN2 — CID 55195116

IUPACN'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESCCCCN(CCNc1ccccc1Cl)C(C)CC
InChIInChI=1S/C16H27ClN2/c1-4-6-12-19(14(3)5-2)13-11-18-16-10-8-7-9-15(16)17/h7-10,14,18H,4-6,11-13H2,1-3H3
InChIKeyISBLFWGKBPEXJP-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.65
Rot. Bonds9

About N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine

N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine (PubChem CID 55195116) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
PubChem CID55195116
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESCCCCN(CCNc1ccccc1Cl)C(C)CC
InChIInChI=1S/C16H27ClN2/c1-4-6-12-19(14(3)5-2)13-11-18-16-10-8-7-9-15(16)17/h7-10,14,18H,4-6,11-13H2,1-3H3
InChIKeyISBLFWGKBPEXJP-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 63502082
N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63504287
2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191788
N-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 63504001
N-(2-chlorophenyl)-N',N'-dioctylpropane-1,3-diamine
CID 175592043
N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
CID 62561481
2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone
CID 54941329
2-chloro-N-(2-ethylbutyl)aniline
CID 29278221
2-chloro-N-(2-pentoxyethyl)aniline
CID 62583761
N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089691
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667
N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63866520

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine (CID 55195116) is N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine is CCCCN(CCNc1ccccc1Cl)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine?
The InChIKey is ISBLFWGKBPEXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-6-12-19(14(3)5-2)13-11-18-16-10-8-7-9-15(16)17/h7-10,14,18H,4-6,11-13H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine has a molecular weight of 282.86 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 55195116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).