4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine

C19H23NO — CID 115758046

IUPAC4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
SMILESCC1(NCc2ccc(-c3ccccc3)cc2)CCOCC1
InChIInChI=1S/C19H23NO/c1-19(11-13-21-14-12-19)20-15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3
InChIKeyMSKQGFZVKOEZPX-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.01
Rot. Bonds4

About 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine

4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine (PubChem CID 115758046) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
PubChem CID115758046
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
SMILESCC1(NCc2ccc(-c3ccccc3)cc2)CCOCC1
InChIInChI=1S/C19H23NO/c1-19(11-13-21-14-12-19)20-15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3
InChIKeyMSKQGFZVKOEZPX-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
CID 115757939
N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
2-[4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]propanoic acid
CID 103264182
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
N-[(4-phenylphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106209965
N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine
CID 113491017

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine (CID 115758046) is 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine is CC1(NCc2ccc(-c3ccccc3)cc2)CCOCC1.
What is the InChIKey of 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine?
The InChIKey is MSKQGFZVKOEZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(11-13-21-14-12-19)20-15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3.
What are the key properties of 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine?
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 115758046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).