(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine

C16H18BrNO — CID 81376650

IUPAC(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2ccccc2Br)c1
InChIInChI=1S/C16H18BrNO/c1-12(13-7-5-8-15(10-13)19-2)18-11-14-6-3-4-9-16(14)17/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyXZKIOUSITDNIFW-GFCCVEGCSA-N
MW320.23 g/mol
LogP4.31
Rot. Bonds5

About (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 81376650) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID81376650
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2ccccc2Br)c1
InChIInChI=1S/C16H18BrNO/c1-12(13-7-5-8-15(10-13)19-2)18-11-14-6-3-4-9-16(14)17/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyXZKIOUSITDNIFW-GFCCVEGCSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115556675
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 107737946
3-[1-[(2-bromo-5-methoxyphenyl)methylamino]ethyl]phenol
CID 103827970
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 81376650) is (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NCc2ccccc2Br)c1.
What is the InChIKey of (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is XZKIOUSITDNIFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(13-7-5-8-15(10-13)19-2)18-11-14-6-3-4-9-16(14)17/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81376650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).