3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine

C14H21Cl2N — CID 79830945

IUPAC3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2N/c1-10(2)17-8-7-14(3,4)12-9-11(15)5-6-13(12)16/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyMJDFYXCFKZQZRF-UHFFFAOYSA-N
MW274.24 g/mol
LogP4.66
Rot. Bonds5

About 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine

3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79830945) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79830945
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC Name3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2N/c1-10(2)17-8-7-14(3,4)12-9-11(15)5-6-13(12)16/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyMJDFYXCFKZQZRF-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81021922
3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350468
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine
CID 64657735
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830315
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 79830945) is 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is MJDFYXCFKZQZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-10(2)17-8-7-14(3,4)12-9-11(15)5-6-13(12)16/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 274.24 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79830945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).