(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine

C17H20BrNO — CID 81382438

IUPAC(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1cccc(CN[C@@H](C)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-3-20-17-9-4-6-14(10-17)12-19-13(2)15-7-5-8-16(18)11-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m0/s1
InChIKeySUFKNFKPVXAWSX-ZDUSSCGKSA-N
MW334.26 g/mol
LogP4.70
Rot. Bonds6

About (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine

(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 81382438) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
PubChem CID81382438
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1cccc(CN[C@@H](C)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-3-20-17-9-4-6-14(10-17)12-19-13(2)15-7-5-8-16(18)11-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m0/s1
InChIKeySUFKNFKPVXAWSX-ZDUSSCGKSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706023
4-[3-[[1-(3-ethoxyphenyl)ethylamino]methyl]phenoxy]butanenitrile
CID 119109131
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
1-(3-bromophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 43426685
1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60956086
(1S)-1-(3-ethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 94809075

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine (CID 81382438) is (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine is CCOc1cccc(CN[C@@H](C)c2cccc(Br)c2)c1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is SUFKNFKPVXAWSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-20-17-9-4-6-14(10-17)12-19-13(2)15-7-5-8-16(18)11-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81382438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).