1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine

C19H23NO — CID 62351928

IUPAC1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
SMILESc1ccc(-c2ccc(CNCC3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23NO/c1-2-4-18(5-3-1)19-8-6-16(7-9-19)14-20-15-17-10-12-21-13-11-17/h1-9,17,20H,10-15H2
InChIKeyOPWTTWRQDBTERO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.87
Rot. Bonds5

About 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine

1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine (PubChem CID 62351928) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
PubChem CID62351928
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
SMILESc1ccc(-c2ccc(CNCC3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23NO/c1-2-4-18(5-3-1)19-8-6-16(7-9-19)14-20-15-17-10-12-21-13-11-17/h1-9,17,20H,10-15H2
InChIKeyOPWTTWRQDBTERO-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide
CID 119153369
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833
4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane
CID 97243520
1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
CID 63712207
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 66775578

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine (CID 62351928) is 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine is c1ccc(-c2ccc(CNCC3CCOCC3)cc2)cc1.
What is the InChIKey of 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine?
The InChIKey is OPWTTWRQDBTERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-4-18(5-3-1)19-8-6-16(7-9-19)14-20-15-17-10-12-21-13-11-17/h1-9,17,20H,10-15H2.
What are the key properties of 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine?
1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine is sourced from PubChem (CID 62351928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).