(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine

C22H23NO — CID 7145250

IUPAC(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-18(21-10-6-3-7-11-21)23-16-19-12-14-22(15-13-19)24-17-20-8-4-2-5-9-20/h2-15,18,23H,16-17H2,1H3/t18-/m0/s1
InChIKeyHHPKBNPWCTVACB-SFHVURJKSA-N
MW317.43 g/mol
LogP5.12
Rot. Bonds7

About (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine

(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 7145250) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID7145250
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-18(21-10-6-3-7-11-21)23-16-19-12-14-22(15-13-19)24-17-20-8-4-2-5-9-20/h2-15,18,23H,16-17H2,1H3/t18-/m0/s1
InChIKeyHHPKBNPWCTVACB-SFHVURJKSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 54803868
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
CID 82710597
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine (CID 7145250) is (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine is C[C@H](NCc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is HHPKBNPWCTVACB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23NO/c1-18(21-10-6-3-7-11-21)23-16-19-12-14-22(15-13-19)24-17-20-8-4-2-5-9-20/h2-15,18,23H,16-17H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 317.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 7145250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).