N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine

C15H25ClN2 — CID 63504287

IUPACN-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CN(CCNc1ccccc1Cl)C(C)C
InChIInChI=1S/C15H25ClN2/c1-12(2)11-18(13(3)4)10-9-17-15-8-6-5-7-14(15)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyIEGTXNGGUUUQHD-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.12
Rot. Bonds7

About N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine

N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 63504287) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID63504287
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CN(CCNc1ccccc1Cl)C(C)C
InChIInChI=1S/C15H25ClN2/c1-12(2)11-18(13(3)4)10-9-17-15-8-6-5-7-14(15)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyIEGTXNGGUUUQHD-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191788
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
CID 55195116
N-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 63504001
N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089691
N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560557
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556464
N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63866520
N-(2-chlorophenyl)-N',N'-dioctylpropane-1,3-diamine
CID 175592043
N-(2-chlorophenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754729
3-chloro-2-methyl-N-(4-methylpentyl)aniline
CID 83155980
N'-(2-chlorophenyl)-N-[3-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54806534

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine (CID 63504287) is N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)CN(CCNc1ccccc1Cl)C(C)C.
What is the InChIKey of N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is IEGTXNGGUUUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-12(2)11-18(13(3)4)10-9-17-15-8-6-5-7-14(15)16/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63504287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).