1-[(3-methylanilino)methyl]cyclopentan-1-ol

C13H19NO — CID 65210676

IUPAC1-[(3-methylanilino)methyl]cyclopentan-1-ol
SMILESCc1cccc(NCC2(O)CCCC2)c1
InChIInChI=1S/C13H19NO/c1-11-5-4-6-12(9-11)14-10-13(15)7-2-3-8-13/h4-6,9,14-15H,2-3,7-8,10H2,1H3
InChIKeyOPAYDCDHDROTBM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.71
Rot. Bonds3

About 1-[(3-methylanilino)methyl]cyclopentan-1-ol

1-[(3-methylanilino)methyl]cyclopentan-1-ol (PubChem CID 65210676) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[(3-methylanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-methylanilino)methyl]cyclopentan-1-ol
PubChem CID65210676
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[(3-methylanilino)methyl]cyclopentan-1-ol
SMILESCc1cccc(NCC2(O)CCCC2)c1
InChIInChI=1S/C13H19NO/c1-11-5-4-6-12(9-11)14-10-13(15)7-2-3-8-13/h4-6,9,14-15H,2-3,7-8,10H2,1H3
InChIKeyOPAYDCDHDROTBM-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-methylanilino)methyl]cyclopentan-1-ol (CID 65210676) is 1-[(3-methylanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-methylanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-methylanilino)methyl]cyclopentan-1-ol is Cc1cccc(NCC2(O)CCCC2)c1.
What is the InChIKey of 1-[(3-methylanilino)methyl]cyclopentan-1-ol?
The InChIKey is OPAYDCDHDROTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-4-6-12(9-11)14-10-13(15)7-2-3-8-13/h4-6,9,14-15H,2-3,7-8,10H2,1H3.
What are the key properties of 1-[(3-methylanilino)methyl]cyclopentan-1-ol?
1-[(3-methylanilino)methyl]cyclopentan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).