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

C23H25NO — CID 51990570

IUPAC(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCc1ccccc1COc1ccccc1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C23H25NO/c1-18-10-6-7-14-22(18)17-25-23-15-9-8-13-21(23)16-24-19(2)20-11-4-3-5-12-20/h3-15,19,24H,16-17H2,1-2H3/t19-/m0/s1
InChIKeyBYYRBZCHTKAQDC-IBGZPJMESA-N
MW331.46 g/mol
LogP5.42
Rot. Bonds7

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

(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine (PubChem CID 51990570) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
PubChem CID51990570
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCc1ccccc1COc1ccccc1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C23H25NO/c1-18-10-6-7-14-22(18)17-25-23-15-9-8-13-21(23)16-24-19(2)20-11-4-3-5-12-20/h3-15,19,24H,16-17H2,1-2H3/t19-/m0/s1
InChIKeyBYYRBZCHTKAQDC-IBGZPJMESA-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
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66534985
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
4-methyl-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528381
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990873
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715547
(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761543
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine (CID 51990570) is (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine is Cc1ccccc1COc1ccccc1CN[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The InChIKey is BYYRBZCHTKAQDC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25NO/c1-18-10-6-7-14-22(18)17-25-23-15-9-8-13-21(23)16-24-19(2)20-11-4-3-5-12-20/h3-15,19,24H,16-17H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
(1S)-N-[[2-[(2-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 (1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 51990570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).