4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C15H23Cl2N — CID 64665023

IUPAC4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-11(2)9-18-10-12(3)4-5-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyRVJVLDPAQRHAMJ-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.81
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 64665023) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID64665023
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-11(2)9-18-10-12(3)4-5-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyRVJVLDPAQRHAMJ-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81018871
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
CID 63460559
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232
1-N-[2-(3,4-dichlorophenyl)ethyl]propane-1,2-diamine
CID 115196851
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 112654588
N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591895
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202766
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 64665023) is 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is RVJVLDPAQRHAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-11(2)9-18-10-12(3)4-5-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,4-5,9-10H2,1-3H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 64665023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).