(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine

C18H22BrNO — CID 81381142

IUPAC(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
SMILESCCOc1ccccc1C(C)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-4-21-18-11-6-5-10-17(18)14(3)20-13(2)15-8-7-9-16(19)12-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyQOFVOKVXFFYBBR-LSLKUGRBSA-N
MW348.28 g/mol
LogP5.26
Rot. Bonds6

About (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine

(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine (PubChem CID 81381142) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
PubChem CID81381142
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
SMILESCCOc1ccccc1C(C)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-4-21-18-11-6-5-10-17(18)14(3)20-13(2)15-8-7-9-16(19)12-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyQOFVOKVXFFYBBR-LSLKUGRBSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
2-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]ethyl]phenol
CID 81381845
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43673266
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
(1R)-1-(3-bromophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81381241
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine (CID 81381142) is (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine is CCOc1ccccc1C(C)N[C@@H](C)c1cccc(Br)c1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine?
The InChIKey is QOFVOKVXFFYBBR-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-21-18-11-6-5-10-17(18)14(3)20-13(2)15-8-7-9-16(19)12-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine?
(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine has a molecular weight of 348.28 g/mol, XLogP of 5.26, 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-[1-(2-ethoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 81381142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).