1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine

C18H22BrN — CID 63417123

IUPAC1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cc1)c1ccccc1Br
InChIInChI=1S/C18H22BrN/c1-3-14-9-11-15(12-10-14)13-18(20-4-2)16-7-5-6-8-17(16)19/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyPOQPZFQZFNXSHD-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.90
Rot. Bonds6

About 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine

1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine (PubChem CID 63417123) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
PubChem CID63417123
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cc1)c1ccccc1Br
InChIInChI=1S/C18H22BrN/c1-3-14-9-11-15(12-10-14)13-18(20-4-2)16-7-5-6-8-17(16)19/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyPOQPZFQZFNXSHD-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105101754
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253
1-(2-bromophenyl)-N-ethylbut-3-yn-1-amine
CID 62234979
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine (CID 63417123) is 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine is CCNC(Cc1ccc(CC)cc1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine?
The InChIKey is POQPZFQZFNXSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-3-14-9-11-15(12-10-14)13-18(20-4-2)16-7-5-6-8-17(16)19/h5-12,18,20H,3-4,13H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine?
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine has a molecular weight of 332.29 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 63417123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).