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

C23H25NO — CID 113263052

IUPAC(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
SMILESCc1ccc([C@H](C)NCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO/c1-18-8-12-22(13-9-18)19(2)24-16-20-10-14-23(15-11-20)25-17-21-6-4-3-5-7-21/h3-15,19,24H,16-17H2,1-2H3/t19-/m0/s1
InChIKeyOWGHUUQWWDMSEQ-IBGZPJMESA-N
MW331.46 g/mol
LogP5.42
Rot. Bonds7

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

(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 113263052) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID113263052
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
SMILESCc1ccc([C@H](C)NCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO/c1-18-8-12-22(13-9-18)19(2)24-16-20-10-14-23(15-11-20)25-17-21-6-4-3-5-7-21/h3-15,19,24H,16-17H2,1-2H3/t19-/m0/s1
InChIKeyOWGHUUQWWDMSEQ-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

1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
CID 43279374
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
1-[4-(3-methylbutoxy)phenyl]-N-[(4-methylphenyl)methyl]ethanamine
CID 54804064
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 54803868
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine (CID 113263052) is (1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine is Cc1ccc([C@H](C)NCc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is OWGHUUQWWDMSEQ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25NO/c1-18-8-12-22(13-9-18)19(2)24-16-20-10-14-23(15-11-20)25-17-21-6-4-3-5-7-21/h3-15,19,24H,16-17H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine 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)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 113263052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).