1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine

C16H22F3NO — CID 82925757

IUPAC1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC2CCCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-20-11-12-8-9-15(14(10-12)16(17,18)19)21-13-6-4-2-3-5-7-13/h8-10,13,20H,2-7,11H2,1H3
InChIKeyWIOHVXIKZLUOKE-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.53
Rot. Bonds4

About 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine

1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 82925757) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID82925757
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC2CCCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-20-11-12-8-9-15(14(10-12)16(17,18)19)21-13-6-4-2-3-5-7-13/h8-10,13,20H,2-7,11H2,1H3
InChIKeyWIOHVXIKZLUOKE-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate
CID 158209098
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
1-(3-cyclohexyloxy-4-nitrophenyl)-N-methylmethanamine
CID 62115686
1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 65369124
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 55204337
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol
CID 114492086
N-methyl-1-[3-(trifluoromethyl)-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615110
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271

Frequently Asked Questions

What is the IUPAC name of 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 82925757) is 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine is CNCc1ccc(OC2CCCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is WIOHVXIKZLUOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-20-11-12-8-9-15(14(10-12)16(17,18)19)21-13-6-4-2-3-5-7-13/h8-10,13,20H,2-7,11H2,1H3.
What are the key properties of 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 301.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 82925757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).