1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine

C23H25NO — CID 54804431

IUPAC1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
SMILESCc1ccc(CNCc2ccccc2OCCc2ccccc2)cc1
InChIInChI=1S/C23H25NO/c1-19-11-13-21(14-12-19)17-24-18-22-9-5-6-10-23(22)25-16-15-20-7-3-2-4-8-20/h2-14,24H,15-18H2,1H3
InChIKeyPLZGJLGLQOHPEC-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.91
Rot. Bonds8

About 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine

1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine (PubChem CID 54804431) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
PubChem CID54804431
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
SMILESCc1ccc(CNCc2ccccc2OCCc2ccccc2)cc1
InChIInChI=1S/C23H25NO/c1-19-11-13-21(14-12-19)17-24-18-22-9-5-6-10-23(22)25-16-15-20-7-3-2-4-8-20/h2-14,24H,15-18H2,1H3
InChIKeyPLZGJLGLQOHPEC-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 39370998
N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
CID 54797970
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796664
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
1-phenyl-2-[[2-(2-phenylethoxy)phenyl]methyl]hydrazine
CID 169385834
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine (CID 54804431) is 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine is Cc1ccc(CNCc2ccccc2OCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine?
The InChIKey is PLZGJLGLQOHPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-19-11-13-21(14-12-19)17-24-18-22-9-5-6-10-23(22)25-16-15-20-7-3-2-4-8-20/h2-14,24H,15-18H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine?
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine has a molecular weight of 331.46 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 54804431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).