3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine

C14H20Cl3N — CID 105350468

IUPAC3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine
SMILESCC(C)NCCC(C)(C)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl3N/c1-9(2)18-6-5-14(3,4)13-11(16)7-10(15)8-12(13)17/h7-9,18H,5-6H2,1-4H3
InChIKeyLHHJHFPCMKJREQ-UHFFFAOYSA-N
MW308.68 g/mol
LogP5.31
Rot. Bonds5

About 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine

3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine (PubChem CID 105350468) has the molecular formula C14H20Cl3N and a molecular weight of 308.68 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine
PubChem CID105350468
Molecular FormulaC14H20Cl3N
Molecular Weight308.68 g/mol
Exact Mass307.07
IUPAC Name3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine
SMILESCC(C)NCCC(C)(C)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl3N/c1-9(2)18-6-5-14(3,4)13-11(16)7-10(15)8-12(13)17/h7-9,18H,5-6H2,1-4H3
InChIKeyLHHJHFPCMKJREQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.68
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-propyl-3-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350472
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81021922
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280812
1,3-dichloro-5-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium
CID 159570613
N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809625
3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine (CID 105350468) is 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine is CC(C)NCCC(C)(C)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine?
The InChIKey is LHHJHFPCMKJREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl3N/c1-9(2)18-6-5-14(3,4)13-11(16)7-10(15)8-12(13)17/h7-9,18H,5-6H2,1-4H3.
What are the key properties of 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine?
3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine has a molecular weight of 308.68 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine is sourced from PubChem (CID 105350468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).