N-[(2-bromophenyl)methyl]-2-phenoxyethanamine

C15H16BrNO — CID 60657804

IUPACN-[(2-bromophenyl)methyl]-2-phenoxyethanamine
SMILESBrc1ccccc1CNCCOc1ccccc1
InChIInChI=1S/C15H16BrNO/c16-15-9-5-4-6-13(15)12-17-10-11-18-14-7-2-1-3-8-14/h1-9,17H,10-12H2
InChIKeyRKYACWMBXCDHKW-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.62
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-2-phenoxyethanamine

N-[(2-bromophenyl)methyl]-2-phenoxyethanamine (PubChem CID 60657804) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-phenoxyethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-phenoxyethanamine
PubChem CID60657804
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[(2-bromophenyl)methyl]-2-phenoxyethanamine
SMILESBrc1ccccc1CNCCOc1ccccc1
InChIInChI=1S/C15H16BrNO/c16-15-9-5-4-6-13(15)12-17-10-11-18-14-7-2-1-3-8-14/h1-9,17H,10-12H2
InChIKeyRKYACWMBXCDHKW-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2-bromophenyl)methylamino]ethoxy]benzoic acid
CID 103244798
N-[(2-bromophenyl)methyl]-2-propoxyethanamine
CID 106451772
N-[(2-bromophenyl)methyl]-3-(trifluoromethoxy)propan-1-amine
CID 75529849
2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60690018
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-[(2-bromophenyl)methyl]-5-chloropentan-1-amine
CID 107319905
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenoxyethanamine
CID 55013040
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60688504
N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
CID 141088572
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
2-chloro-6-[(3-phenoxypropylamino)methyl]phenol
CID 115904573

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-phenoxyethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-phenoxyethanamine (CID 60657804) is N-[(2-bromophenyl)methyl]-2-phenoxyethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-phenoxyethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-phenoxyethanamine is Brc1ccccc1CNCCOc1ccccc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-phenoxyethanamine?
The InChIKey is RKYACWMBXCDHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-15-9-5-4-6-13(15)12-17-10-11-18-14-7-2-1-3-8-14/h1-9,17H,10-12H2.
What are the key properties of N-[(2-bromophenyl)methyl]-2-phenoxyethanamine?
N-[(2-bromophenyl)methyl]-2-phenoxyethanamine has a molecular weight of 306.20 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-phenoxyethanamine is sourced from PubChem (CID 60657804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).