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

C18H23NO — CID 81348754

IUPAC(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCCOc1cccc(CN[C@H](C)c2ccc(C)cc2)c1
InChIInChI=1S/C18H23NO/c1-4-20-18-7-5-6-16(12-18)13-19-15(3)17-10-8-14(2)9-11-17/h5-12,15,19H,4,13H2,1-3H3/t15-/m1/s1
InChIKeyYKNAJQSACNYWRW-OAHLLOKOSA-N
MW269.39 g/mol
LogP4.24
Rot. Bonds6

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

(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81348754) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81348754
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCCOc1cccc(CN[C@H](C)c2ccc(C)cc2)c1
InChIInChI=1S/C18H23NO/c1-4-20-18-7-5-6-16(12-18)13-19-15(3)17-10-8-14(2)9-11-17/h5-12,15,19H,4,13H2,1-3H3/t15-/m1/s1
InChIKeyYKNAJQSACNYWRW-OAHLLOKOSA-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

1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706023
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
2-[1-[(3-ethoxyphenyl)methylamino]ethyl]-4-methylphenol
CID 60873911
(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 81382438
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
4-[3-[[1-(3-ethoxyphenyl)ethylamino]methyl]phenoxy]butanenitrile
CID 119109131

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 81348754) is (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine is CCOc1cccc(CN[C@H](C)c2ccc(C)cc2)c1.
What is the InChIKey of (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is YKNAJQSACNYWRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-20-18-7-5-6-16(12-18)13-19-15(3)17-10-8-14(2)9-11-17/h5-12,15,19H,4,13H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine?
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-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 (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81348754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).