(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine

C19H23NO — CID 63081175

IUPAC(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
SMILESCc1ccccc1C(N)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H23NO/c1-15-7-5-6-10-17(15)18(20)19(11-13-21-14-12-19)16-8-3-2-4-9-16/h2-10,18H,11-14,20H2,1H3
InChIKeyFBUXZTWBNKFSNZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.74
Rot. Bonds3

About (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine

(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine (PubChem CID 63081175) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine.

Molecular Properties

Compound Name(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
PubChem CID63081175
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
SMILESCc1ccccc1C(N)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H23NO/c1-15-7-5-6-10-17(15)18(20)19(11-13-21-14-12-19)16-8-3-2-4-9-16/h2-10,18H,11-14,20H2,1H3
InChIKeyFBUXZTWBNKFSNZ-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine?
The IUPAC name of (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine (CID 63081175) is (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine.
What is the SMILES notation for (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine?
The canonical SMILES for (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine is Cc1ccccc1C(N)C1(c2ccccc2)CCOCC1.
What is the InChIKey of (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine?
The InChIKey is FBUXZTWBNKFSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-7-5-6-10-17(15)18(20)19(11-13-21-14-12-19)16-8-3-2-4-9-16/h2-10,18H,11-14,20H2,1H3.
What are the key properties of (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine?
(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(4-phenyloxan-4-yl)methanamine is sourced from PubChem (CID 63081175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).