1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine

C15H20F3N — CID 62621040

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
SMILESNC1(Cc2cccc(C(F)(F)F)c2)CCCCCC1
InChIInChI=1S/C15H20F3N/c16-15(17,18)13-7-5-6-12(10-13)11-14(19)8-3-1-2-4-9-14/h5-7,10H,1-4,8-9,11,19H2
InChIKeyBSVQVRGNTGWINL-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.30
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine

1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine (PubChem CID 62621040) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
PubChem CID62621040
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
SMILESNC1(Cc2cccc(C(F)(F)F)c2)CCCCCC1
InChIInChI=1S/C15H20F3N/c16-15(17,18)13-7-5-6-12(10-13)11-14(19)8-3-1-2-4-9-14/h5-7,10H,1-4,8-9,11,19H2
InChIKeyBSVQVRGNTGWINL-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine
CID 83173473
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62007283
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine (CID 62621040) is 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine is NC1(Cc2cccc(C(F)(F)F)c2)CCCCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine?
The InChIKey is BSVQVRGNTGWINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c16-15(17,18)13-7-5-6-12(10-13)11-14(19)8-3-1-2-4-9-14/h5-7,10H,1-4,8-9,11,19H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine?
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62621040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).