N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine

C18H22N2O — CID 63081349

IUPACN-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine
SMILESCNC(c1cccnc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H22N2O/c1-19-17(15-6-5-11-20-14-15)18(9-12-21-13-10-18)16-7-3-2-4-8-16/h2-8,11,14,17,19H,9-10,12-13H2,1H3
InChIKeyKDHCTFCZZAIYCE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.09
Rot. Bonds4

About N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine

N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine (PubChem CID 63081349) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine
PubChem CID63081349
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine
SMILESCNC(c1cccnc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H22N2O/c1-19-17(15-6-5-11-20-14-15)18(9-12-21-13-10-18)16-7-3-2-4-8-16/h2-8,11,14,17,19H,9-10,12-13H2,1H3
InChIKeyKDHCTFCZZAIYCE-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815
1-[methylamino(pyridin-3-yl)methyl]cyclopropan-1-amine
CID 116961279
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920
3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile
CID 116959304
N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine
CID 63083756
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
N-methyl-1-(1-phenylcyclopropyl)-1-thiophen-3-ylmethanamine
CID 65104923
N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine
CID 65104467
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 63977043
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine
CID 65105093
[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine
CID 105217605

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine?
The IUPAC name of N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine (CID 63081349) is N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine is CNC(c1cccnc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine?
The InChIKey is KDHCTFCZZAIYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-17(15-6-5-11-20-14-15)18(9-12-21-13-10-18)16-7-3-2-4-8-16/h2-8,11,14,17,19H,9-10,12-13H2,1H3.
What are the key properties of N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine?
N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 63081349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).