(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine

C18H22BrNO — CID 81371308

IUPAC(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-12-8-9-18(21-4)17(10-12)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3/t13-,14?/m1/s1
InChIKeyFEDYFPMFNKFFJB-KWCCSABGSA-N
MW348.28 g/mol
LogP5.18
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine (PubChem CID 81371308) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
PubChem CID81371308
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-12-8-9-18(21-4)17(10-12)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3/t13-,14?/m1/s1
InChIKeyFEDYFPMFNKFFJB-KWCCSABGSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405947
(1S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81404842
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81381142
2-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]ethyl]phenol
CID 81381845
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine
CID 43770232

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine (CID 81371308) is (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine is COc1ccc(C)cc1C(C)N[C@H](C)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The InChIKey is FEDYFPMFNKFFJB-KWCCSABGSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12-8-9-18(21-4)17(10-12)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3/t13-,14?/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine has a molecular weight of 348.28 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81371308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).