(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

C17H20BrNO — CID 93318712

IUPAC(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)N[C@@H](C)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-12(14-6-4-8-16(18)10-14)19-13(2)15-7-5-9-17(11-15)20-3/h4-13,19H,1-3H3/t12-,13-/m0/s1
InChIKeySORHILJROYFRNC-STQMWFEESA-N
MW334.26 g/mol
LogP4.87
Rot. Bonds5

About (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 93318712) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID93318712
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)N[C@@H](C)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-12(14-6-4-8-16(18)10-14)19-13(2)15-7-5-9-17(11-15)20-3/h4-13,19H,1-3H3/t12-,13-/m0/s1
InChIKeySORHILJROYFRNC-STQMWFEESA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1R)-N-[1-(4-bromothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 107354466
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43683196
N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 93318712) is (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@H](C)N[C@@H](C)c2cccc(Br)c2)c1.
What is the InChIKey of (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is SORHILJROYFRNC-STQMWFEESA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12(14-6-4-8-16(18)10-14)19-13(2)15-7-5-9-17(11-15)20-3/h4-13,19H,1-3H3/t12-,13-/m0/s1.
What are the key properties of (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 93318712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).