(4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine

C17H26N2O — CID 79057780

IUPAC(4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine
SMILESCc1ccc(C(N)C2(N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14-4-6-15(7-5-14)16(18)17(8-2-3-9-17)19-10-12-20-13-11-19/h4-7,16H,2-3,8-13,18H2,1H3
InChIKeyQONFTLIGZFVVBR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds3

About (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine

(4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine (PubChem CID 79057780) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine
PubChem CID79057780
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine
SMILESCc1ccc(C(N)C2(N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14-4-6-15(7-5-14)16(18)17(8-2-3-9-17)19-10-12-20-13-11-19/h4-7,16H,2-3,8-13,18H2,1H3
InChIKeyQONFTLIGZFVVBR-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine?
The IUPAC name of (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine (CID 79057780) is (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine.
What is the SMILES notation for (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine?
The canonical SMILES for (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine is Cc1ccc(C(N)C2(N3CCOCC3)CCCC2)cc1.
What is the InChIKey of (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine?
The InChIKey is QONFTLIGZFVVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-4-6-15(7-5-14)16(18)17(8-2-3-9-17)19-10-12-20-13-11-19/h4-7,16H,2-3,8-13,18H2,1H3.
What are the key properties of (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine?
(4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine is sourced from PubChem (CID 79057780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).