(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine

C17H21NO — CID 927372

IUPAC(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
SMILESCCOc1ccc(CN[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-3-19-17-11-9-15(10-12-17)13-18-14(2)16-7-5-4-6-8-16/h4-12,14,18H,3,13H2,1-2H3/t14-/m0/s1
InChIKeyJNVVIQPMHUDYTJ-AWEZNQCLSA-N
MW255.36 g/mol
LogP3.94
Rot. Bonds6

About (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine

(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine (PubChem CID 927372) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
PubChem CID927372
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
SMILESCCOc1ccc(CN[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-3-19-17-11-9-15(10-12-17)13-18-14(2)16-7-5-4-6-8-16/h4-12,14,18H,3,13H2,1-2H3/t14-/m0/s1
InChIKeyJNVVIQPMHUDYTJ-AWEZNQCLSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 60945185
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine (CID 927372) is (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine is CCOc1ccc(CN[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine?
The InChIKey is JNVVIQPMHUDYTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-19-17-11-9-15(10-12-17)13-18-14(2)16-7-5-4-6-8-16/h4-12,14,18H,3,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine?
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.94, 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-phenylethanamine is sourced from PubChem (CID 927372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).