N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine

C19H24BrN — CID 43712840

IUPACN-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NC(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H24BrN/c1-13(2)16-5-7-17(8-6-16)14(3)21-15(4)18-9-11-19(20)12-10-18/h5-15,21H,1-4H3
InChIKeyZSJDXYCZOWDWLO-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.98
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine

N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43712840) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43712840
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NC(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H24BrN/c1-13(2)16-5-7-17(8-6-16)14(3)21-15(4)18-9-11-19(20)12-10-18/h5-15,21H,1-4H3
InChIKeyZSJDXYCZOWDWLO-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
4-[1-[[(1S)-1-(4-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81359050
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 107354090
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81356704

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine (CID 43712840) is N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NC(C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is ZSJDXYCZOWDWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-13(2)16-5-7-17(8-6-16)14(3)21-15(4)18-9-11-19(20)12-10-18/h5-15,21H,1-4H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43712840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).