1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol

C15H20F3NO2 — CID 114950302

IUPAC1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-19(10-14(21)6-2-3-7-14)12-5-4-11(9-20)13(8-12)15(16,17)18/h4-5,8,20-21H,2-3,6-7,9-10H2,1H3
InChIKeyKKYLNYBVIKKJSN-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.94
Rot. Bonds4

About 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol

1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol (PubChem CID 114950302) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
PubChem CID114950302
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-19(10-14(21)6-2-3-7-14)12-5-4-11(9-20)13(8-12)15(16,17)18/h4-5,8,20-21H,2-3,6-7,9-10H2,1H3
InChIKeyKKYLNYBVIKKJSN-UHFFFAOYSA-N
XLogP2.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114947828
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-(trifluoromethyl)benzaldehyde
CID 114950069
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 105414185
[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol
CID 107399684
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylbenzonitrile
CID 114949288
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
1-[[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950286
1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650
1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one
CID 114065864
4-(bromomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)aniline
CID 107079849
1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114951014

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol (CID 114950302) is 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ccc(CO)c(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The InChIKey is KKYLNYBVIKKJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-19(10-14(21)6-2-3-7-14)12-5-4-11(9-20)13(8-12)15(16,17)18/h4-5,8,20-21H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol has a molecular weight of 303.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114950302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).