[4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone

C21H18BrNO — CID 174780430

IUPAC[4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone
SMILESNCCc1ccccc1-c1ccc(C(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H18BrNO/c22-19-6-3-5-18(14-19)21(24)17-10-8-16(9-11-17)20-7-2-1-4-15(20)12-13-23/h1-11,14H,12-13,23H2
InChIKeyMRONMFASNMHSQJ-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.85
Rot. Bonds5

About [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone

[4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone (PubChem CID 174780430) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone
PubChem CID174780430
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC Name[4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone
SMILESNCCc1ccccc1-c1ccc(C(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H18BrNO/c22-19-6-3-5-18(14-19)21(24)17-10-8-16(9-11-17)20-7-2-1-4-15(20)12-13-23/h1-11,14H,12-13,23H2
InChIKeyMRONMFASNMHSQJ-UHFFFAOYSA-N
XLogP4.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(4-phenanthren-9-ylphenyl)methanone
CID 87092225
methyl 4-[2-(2-aminoethyl)phenyl]benzoate
CID 1393592
2-[4-[2-(2-aminoethyl)phenyl]phenyl]ethanamine
CID 122383957
[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
CID 67346438
3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride
CID 174475593
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
CID 116577493
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
[2-(3-bromophenyl)phenyl]methanol
CID 1393420
bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
4-[2-(2-hydroxyethyl)phenyl]benzoic acid
CID 175206383

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone?
The IUPAC name of [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone (CID 174780430) is [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone.
What is the SMILES notation for [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone?
The canonical SMILES for [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone is NCCc1ccccc1-c1ccc(C(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone?
The InChIKey is MRONMFASNMHSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c22-19-6-3-5-18(14-19)21(24)17-10-8-16(9-11-17)20-7-2-1-4-15(20)12-13-23/h1-11,14H,12-13,23H2.
What are the key properties of [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone?
[4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone has a molecular weight of 380.29 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone is sourced from PubChem (CID 174780430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).