N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

C14H23ClN2 — CID 62560444

IUPACN-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)N(C)CCNc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-11(2)12(3)17(4)9-8-16-14-7-5-6-13(15)10-14/h5-7,10-12,16H,8-9H2,1-4H3
InChIKeyVSIKEQQPPZAZRH-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.73
Rot. Bonds6

About N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 62560444) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID62560444
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)N(C)CCNc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-11(2)12(3)17(4)9-8-16-14-7-5-6-13(15)10-14/h5-7,10-12,16H,8-9H2,1-4H3
InChIKeyVSIKEQQPPZAZRH-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 62560444) is N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is CC(C)C(C)N(C)CCNc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is VSIKEQQPPZAZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-11(2)12(3)17(4)9-8-16-14-7-5-6-13(15)10-14/h5-7,10-12,16H,8-9H2,1-4H3.
What are the key properties of N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62560444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).