N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine

C23H25NO — CID 17054239

IUPACN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCc1ccc(COc2ccccc2CNC(C)c2ccccc2)cc1
InChIInChI=1S/C23H25NO/c1-18-12-14-20(15-13-18)17-25-23-11-7-6-10-22(23)16-24-19(2)21-8-4-3-5-9-21/h3-15,19,24H,16-17H2,1-2H3
InChIKeyHRRUAAWNUYHJSY-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.42
Rot. Bonds7

About N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine

N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine (PubChem CID 17054239) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
PubChem CID17054239
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCc1ccc(COc2ccccc2CNC(C)c2ccccc2)cc1
InChIInChI=1S/C23H25NO/c1-18-12-14-20(15-13-18)17-25-23-11-7-6-10-22(23)16-24-19(2)21-8-4-3-5-9-21/h3-15,19,24H,16-17H2,1-2H3
InChIKeyHRRUAAWNUYHJSY-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156456
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990873
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
(1S)-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 35697732
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine (CID 17054239) is N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine is Cc1ccc(COc2ccccc2CNC(C)c2ccccc2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The InChIKey is HRRUAAWNUYHJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-18-12-14-20(15-13-18)17-25-23-11-7-6-10-22(23)16-24-19(2)21-8-4-3-5-9-21/h3-15,19,24H,16-17H2,1-2H3.
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine has a molecular weight of 331.46 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 17054239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).