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

C18H22BrNO — CID 81379133

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C18H22BrNO/c1-4-21-18-12-8-6-10-16(18)14(3)20-13(2)15-9-5-7-11-17(15)19/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyBJGCQTJGOUULLM-LSLKUGRBSA-N
MW348.28 g/mol
LogP5.26
Rot. Bonds6

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

N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine (PubChem CID 81379133) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
PubChem CID81379133
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C18H22BrNO/c1-4-21-18-12-8-6-10-16(18)14(3)20-13(2)15-9-5-7-11-17(15)19/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyBJGCQTJGOUULLM-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

2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81381142
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
N-[1-(2-ethoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226015
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-6-ethoxyphenol
CID 81378526
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine (CID 81379133) is N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(C)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is BJGCQTJGOUULLM-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-21-18-12-8-6-10-16(18)14(3)20-13(2)15-9-5-7-11-17(15)19/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine?
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)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 N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 81379133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).