N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine

C14H21BrClN — CID 155635571

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1ccc(Br)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C14H21BrClN/c1-10(2)17(14(3,4)5)9-11-6-7-12(15)13(16)8-11/h6-8,10H,9H2,1-5H3
InChIKeyXBVUBNKUNOXZOX-UHFFFAOYSA-N
MW318.69 g/mol
LogP5.11
Rot. Bonds3

About N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine

N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine (PubChem CID 155635571) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
PubChem CID155635571
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1ccc(Br)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C14H21BrClN/c1-10(2)17(14(3,4)5)9-11-6-7-12(15)13(16)8-11/h6-8,10H,9H2,1-5H3
InChIKeyXBVUBNKUNOXZOX-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.69
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
CID 74889407
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
CID 83745272
3-N-[(4-bromo-3-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 103581647
1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene
CID 117220623
N-(2-bromoethyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 80670954
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
tert-butyl N-[(4-bromo-3-chlorophenyl)methyl]-N-(4-oxobutyl)carbamate
CID 171066011
(3S)-2-[2-(4-bromo-3-chlorophenyl)propan-2-yl]-3-methylpentan-1-ol
CID 163527134
N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 103581873

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine (CID 155635571) is N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine is CC(C)N(Cc1ccc(Br)c(Cl)c1)C(C)(C)C.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine?
The InChIKey is XBVUBNKUNOXZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN/c1-10(2)17(14(3,4)5)9-11-6-7-12(15)13(16)8-11/h6-8,10H,9H2,1-5H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine has a molecular weight of 318.69 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 155635571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).