N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine

C18H22BrN — CID 63415263

IUPACN-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1ccccc1Br
InChIInChI=1S/C18H22BrN/c1-3-12-20-18(16-10-6-7-11-17(16)19)13-15-9-5-4-8-14(15)2/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyFGIOHAKAKVHINF-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.04
Rot. Bonds6

About N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine

N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 63415263) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID63415263
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1ccccc1Br
InChIInChI=1S/C18H22BrN/c1-3-12-20-18(16-10-6-7-11-17(16)19)13-15-9-5-4-8-14(15)2/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyFGIOHAKAKVHINF-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406037
N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496874
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 115567846
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 107988840

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 63415263) is N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is FGIOHAKAKVHINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-3-12-20-18(16-10-6-7-11-17(16)19)13-15-9-5-4-8-14(15)2/h4-11,18,20H,3,12-13H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63415263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).