(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine

C18H23NO — CID 28652621

IUPAC(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCCOc1ccccc1CN[C@@H](C)c1ccccc1C
InChIInChI=1S/C18H23NO/c1-4-20-18-12-8-6-10-16(18)13-19-15(3)17-11-7-5-9-14(17)2/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyQJTYPUFBXNLXNE-HNNXBMFYSA-N
MW269.39 g/mol
LogP4.24
Rot. Bonds6

About (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 28652621) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID28652621
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCCOc1ccccc1CN[C@@H](C)c1ccccc1C
InChIInChI=1S/C18H23NO/c1-4-20-18-12-8-6-10-16(18)13-19-15(3)17-11-7-5-9-14(17)2/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyQJTYPUFBXNLXNE-HNNXBMFYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 28652801
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 43221588
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107935967
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-6-ethoxyphenol
CID 81378526
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine (CID 28652621) is (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine is CCOc1ccccc1CN[C@@H](C)c1ccccc1C.
What is the InChIKey of (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is QJTYPUFBXNLXNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-20-18-12-8-6-10-16(18)13-19-15(3)17-11-7-5-9-14(17)2/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 28652621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).