(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine

C22H23NO — CID 40761616

IUPAC(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-18(20-12-6-3-7-13-20)23-16-21-14-8-9-15-22(21)24-17-19-10-4-2-5-11-19/h2-15,18,23H,16-17H2,1H3/t18-/m0/s1
InChIKeyINWSOBYEQPRKHL-SFHVURJKSA-N
MW317.43 g/mol
LogP5.12
Rot. Bonds7

About (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine

(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 40761616) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID40761616
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-18(20-12-6-3-7-13-20)23-16-21-14-8-9-15-22(21)24-17-19-10-4-2-5-11-19/h2-15,18,23H,16-17H2,1H3/t18-/m0/s1
InChIKeyINWSOBYEQPRKHL-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

N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990873
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 51988789

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine (CID 40761616) is (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine is C[C@H](NCc1ccccc1OCc1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is INWSOBYEQPRKHL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23NO/c1-18(20-12-6-3-7-13-20)23-16-21-14-8-9-15-22(21)24-17-19-10-4-2-5-11-19/h2-15,18,23H,16-17H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine?
(1S)-1-phenyl-N-[(2-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-[(2-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 40761616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).