[5-bromo-2-(2-phenylethoxy)phenyl]methanamine

C15H16BrNO — CID 28981744

IUPAC[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C15H16BrNO/c16-14-6-7-15(13(10-14)11-17)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,17H2
InChIKeyRFCJVXVPXNNJER-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.53
Rot. Bonds5

About [5-bromo-2-(2-phenylethoxy)phenyl]methanamine

[5-bromo-2-(2-phenylethoxy)phenyl]methanamine (PubChem CID 28981744) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [5-bromo-2-(2-phenylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
PubChem CID28981744
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C15H16BrNO/c16-14-6-7-15(13(10-14)11-17)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,17H2
InChIKeyRFCJVXVPXNNJER-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62935735
5-bromo-2-(2-phenylethoxy)aniline
CID 26190375
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
CID 139210923
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
(5-bromo-2-decoxyphenyl)methanamine
CID 63499328
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
CID 55167870
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-phenylethoxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(2-phenylethoxy)phenyl]methanamine (CID 28981744) is [5-bromo-2-(2-phenylethoxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-phenylethoxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-phenylethoxy)phenyl]methanamine is NCc1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of [5-bromo-2-(2-phenylethoxy)phenyl]methanamine?
The InChIKey is RFCJVXVPXNNJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-14-6-7-15(13(10-14)11-17)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,17H2.
What are the key properties of [5-bromo-2-(2-phenylethoxy)phenyl]methanamine?
[5-bromo-2-(2-phenylethoxy)phenyl]methanamine has a molecular weight of 306.20 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-phenylethoxy)phenyl]methanamine is sourced from PubChem (CID 28981744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).