1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine

C27H25NO — CID 141092244

IUPAC1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine
SMILESc1ccc(OCc2ccc(CNCc3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO/c1-3-9-24(10-4-1)27-14-8-7-11-25(27)20-28-19-22-15-17-23(18-16-22)21-29-26-12-5-2-6-13-26/h1-18,28H,19-21H2
InChIKeyASLMNVWMYUELEH-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.22
Rot. Bonds8

About 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine

1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine (PubChem CID 141092244) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine
PubChem CID141092244
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine
SMILESc1ccc(OCc2ccc(CNCc3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO/c1-3-9-24(10-4-1)27-14-8-7-11-25(27)20-28-19-22-15-17-23(18-16-22)21-29-26-12-5-2-6-13-26/h1-18,28H,19-21H2
InChIKeyASLMNVWMYUELEH-UHFFFAOYSA-N
XLogP6.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-(phenoxymethyl)phenyl]phenyl]methanamine
CID 43825120
methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
CID 176907071
phenoxymethylbenzene;2-phenylphenol
CID 159234068
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17291782
5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211513
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
N-[(2-phenylphenyl)methyl]prop-2-en-1-amine
CID 90242469

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine?
The IUPAC name of 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine (CID 141092244) is 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine?
The canonical SMILES for 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine is c1ccc(OCc2ccc(CNCc3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine?
The InChIKey is ASLMNVWMYUELEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-3-9-24(10-4-1)27-14-8-7-11-25(27)20-28-19-22-15-17-23(18-16-22)21-29-26-12-5-2-6-13-26/h1-18,28H,19-21H2.
What are the key properties of 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine?
1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine has a molecular weight of 379.50 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine is sourced from PubChem (CID 141092244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).