4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine

C14H21Cl2N — CID 65308819

IUPAC4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2N/c1-4-17-10-14(2,3)8-7-11-5-6-12(15)13(16)9-11/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyNHVBOAOPGZZNBL-UHFFFAOYSA-N
MW274.24 g/mol
LogP4.56
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine

4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 65308819) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID65308819
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC Name4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2N/c1-4-17-10-14(2,3)8-7-11-5-6-12(15)13(16)9-11/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyNHVBOAOPGZZNBL-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65309028
N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65308504
2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159839
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306110
4-(2,5-diethylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306023
4-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 65309053
4-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306196
4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 81051396
5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717640
4-(3,4-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308797
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 114013897

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 65308819) is 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNCC(C)(C)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is NHVBOAOPGZZNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-4-17-10-14(2,3)8-7-11-5-6-12(15)13(16)9-11/h5-6,9,17H,4,7-8,10H2,1-3H3.
What are the key properties of 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 274.24 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65308819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).