3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine

C18H21NO — CID 115768836

IUPAC3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
SMILESCC1(NCc2ccc(-c3ccccc3)cc2)CCOC1
InChIInChI=1S/C18H21NO/c1-18(11-12-20-14-18)19-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3
InChIKeyLPOZBQULVQTGOR-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.62
Rot. Bonds4

About 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine

3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine (PubChem CID 115768836) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
PubChem CID115768836
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
SMILESCC1(NCc2ccc(-c3ccccc3)cc2)CCOC1
InChIInChI=1S/C18H21NO/c1-18(11-12-20-14-18)19-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3
InChIKeyLPOZBQULVQTGOR-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453
4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
CID 103897385
4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
CID 115757939
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine
CID 113338525
N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine?
The IUPAC name of 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine (CID 115768836) is 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine?
The canonical SMILES for 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine is CC1(NCc2ccc(-c3ccccc3)cc2)CCOC1.
What is the InChIKey of 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine?
The InChIKey is LPOZBQULVQTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(11-12-20-14-18)19-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3.
What are the key properties of 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine?
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine has a molecular weight of 267.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 115768836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).