(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine

C18H23NO — CID 81364175

IUPAC(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCOc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-20-18-10-8-16(9-11-18)13-19-15(3)17-7-5-6-14(2)12-17/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyRWKWYEFRWBNQMU-HNNXBMFYSA-N
MW269.39 g/mol
LogP4.24
Rot. Bonds6

About (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine

(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81364175) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81364175
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCOc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-20-18-10-8-16(9-11-18)13-19-15(3)17-7-5-6-14(2)12-17/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyRWKWYEFRWBNQMU-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

(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 81364333
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 60945185
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 81364175) is (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine is CCOc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1.
What is the InChIKey of (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is RWKWYEFRWBNQMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-20-18-10-8-16(9-11-18)13-19-15(3)17-7-5-6-14(2)12-17/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-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-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81364175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).