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

C15H21F3N2O — CID 114947828

IUPAC1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-20(10-14(21)6-2-3-7-14)12-5-4-11(9-19)13(8-12)15(16,17)18/h4-5,8,21H,2-3,6-7,9-10,19H2,1H3
InChIKeyIHNFGOAZIMWMEG-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.91
Rot. Bonds4

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

1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol (PubChem CID 114947828) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
PubChem CID114947828
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-20(10-14(21)6-2-3-7-14)12-5-4-11(9-19)13(8-12)15(16,17)18/h4-5,8,21H,2-3,6-7,9-10,19H2,1H3
InChIKeyIHNFGOAZIMWMEG-UHFFFAOYSA-N
XLogP2.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114950302
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-(trifluoromethyl)benzaldehyde
CID 114950069
4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline
CID 43570547
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)aniline
CID 43569586
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline
CID 81053579
4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43563877
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
CID 61450136
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 105414185
4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 61426224
2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide
CID 62923272
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol (CID 114947828) is 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
The InChIKey is IHNFGOAZIMWMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-20(10-14(21)6-2-3-7-14)12-5-4-11(9-19)13(8-12)15(16,17)18/h4-5,8,21H,2-3,6-7,9-10,19H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol?
1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol has a molecular weight of 302.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114947828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).