N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C16H22F3NO — CID 64754469

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCc1cccc(CNC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C16H22F3NO/c1-21-11-13-4-2-3-12(9-13)10-20-15-7-5-14(6-8-15)16(17,18)19/h2-4,9,14-15,20H,5-8,10-11H2,1H3
InChIKeyNCDHMIKBVZFKCQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.04
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754469) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754469
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCc1cccc(CNC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C16H22F3NO/c1-21-11-13-4-2-3-12(9-13)10-20-15-7-5-14(6-8-15)16(17,18)19/h2-4,9,14-15,20H,5-8,10-11H2,1H3
InChIKeyNCDHMIKBVZFKCQ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[(3-nitrophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434614
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine
CID 116992767
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
4-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]benzene-1,2-diol
CID 43434626

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754469) is N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine is COCc1cccc(CNC2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NCDHMIKBVZFKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-21-11-13-4-2-3-12(9-13)10-20-15-7-5-14(6-8-15)16(17,18)19/h2-4,9,14-15,20H,5-8,10-11H2,1H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).