(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine

C18H23NO2 — CID 81388530

IUPAC(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOCc1ccc(CN[C@@H](C)c2ccccc2OC)cc1
InChIInChI=1S/C18H23NO2/c1-14(17-6-4-5-7-18(17)21-3)19-12-15-8-10-16(11-9-15)13-20-2/h4-11,14,19H,12-13H2,1-3H3/t14-/m0/s1
InChIKeyKAVBLPVRNJLJBX-AWEZNQCLSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds7

About (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine

(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81388530) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81388530
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOCc1ccc(CN[C@@H](C)c2ccccc2OC)cc1
InChIInChI=1S/C18H23NO2/c1-14(17-6-4-5-7-18(17)21-3)19-12-15-8-10-16(11-9-15)13-20-2/h4-11,14,19H,12-13H2,1-3H3/t14-/m0/s1
InChIKeyKAVBLPVRNJLJBX-AWEZNQCLSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28624330
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
CID 115715689
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 28649877
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine (CID 81388530) is (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine is COCc1ccc(CN[C@@H](C)c2ccccc2OC)cc1.
What is the InChIKey of (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is KAVBLPVRNJLJBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(17-6-4-5-7-18(17)21-3)19-12-15-8-10-16(11-9-15)13-20-2/h4-11,14,19H,12-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine?
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81388530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).