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

C14H21Cl2N — CID 81021922

IUPAC3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2N/c1-10(2)17-9-8-14(3,4)11-6-5-7-12(15)13(11)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyZPUHRSRMYXUCDX-UHFFFAOYSA-N
MW274.24 g/mol
LogP4.66
Rot. Bonds5

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

3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 81021922) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID81021922
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC Name3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2N/c1-10(2)17-9-8-14(3,4)11-6-5-7-12(15)13(11)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyZPUHRSRMYXUCDX-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-(2,3-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 81022420
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350468
2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 57455746
3-(1,2-dihydroacenaphthylen-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 114939848
4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81021801
3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830782
3-methyl-3-(4-methyl-3-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 81022881
3-amino-2-(2,3-dichlorophenyl)butan-2-ol
CID 130574322

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 81021922) is 3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is ZPUHRSRMYXUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-10(2)17-9-8-14(3,4)11-6-5-7-12(15)13(11)16/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
3-(2,3-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-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81021922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).