[3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine

C17H26N2O — CID 79978573

IUPAC[3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine
SMILESCC(C)N1CCOC(CN)C1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)19-9-10-20-16(11-18)17(19)15-7-5-14(6-8-15)13-3-4-13/h5-8,12-13,16-17H,3-4,9-11,18H2,1-2H3
InChIKeyVIBKJWFCUPNFGQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.67
Rot. Bonds4

About [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine

[3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine (PubChem CID 79978573) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine
PubChem CID79978573
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine
SMILESCC(C)N1CCOC(CN)C1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)19-9-10-20-16(11-18)17(19)15-7-5-14(6-8-15)13-3-4-13/h5-8,12-13,16-17H,3-4,9-11,18H2,1-2H3
InChIKeyVIBKJWFCUPNFGQ-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine?
The IUPAC name of [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine (CID 79978573) is [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine.
What is the SMILES notation for [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine?
The canonical SMILES for [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine is CC(C)N1CCOC(CN)C1c1ccc(C2CC2)cc1.
What is the InChIKey of [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine?
The InChIKey is VIBKJWFCUPNFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)19-9-10-20-16(11-18)17(19)15-7-5-14(6-8-15)13-3-4-13/h5-8,12-13,16-17H,3-4,9-11,18H2,1-2H3.
What are the key properties of [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine?
[3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine is sourced from PubChem (CID 79978573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).