1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C16H22F3N — CID 65399168

IUPAC1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)C1CCCCCC1
InChIInChI=1S/C16H22F3N/c1-20-15(12-7-4-2-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h6,9-12,15,20H,2-5,7-8H2,1H3
InChIKeyHSIWQXDVHMVRCN-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.94
Rot. Bonds3

About 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 65399168) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID65399168
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)C1CCCCCC1
InChIInChI=1S/C16H22F3N/c1-20-15(12-7-4-2-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h6,9-12,15,20H,2-5,7-8H2,1H3
InChIKeyHSIWQXDVHMVRCN-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018209

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 65399168) is 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CNC(c1cccc(C(F)(F)F)c1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HSIWQXDVHMVRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-20-15(12-7-4-2-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h6,9-12,15,20H,2-5,7-8H2,1H3.
What are the key properties of 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 65399168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).