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

C16H23F3N2 — CID 62007283

IUPAC1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1(CN)CCCCC1
InChIInChI=1S/C16H23F3N2/c1-21(15(12-20)8-3-2-4-9-15)11-13-6-5-7-14(10-13)16(17,18)19/h5-7,10H,2-4,8-9,11-12,20H2,1H3
InChIKeyGSNQEAMDYBRODX-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.80
Rot. Bonds4

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

1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 62007283) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID62007283
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1(CN)CCCCC1
InChIInChI=1S/C16H23F3N2/c1-21(15(12-20)8-3-2-4-9-15)11-13-6-5-7-14(10-13)16(17,18)19/h5-7,10H,2-4,8-9,11-12,20H2,1H3
InChIKeyGSNQEAMDYBRODX-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (CID 62007283) is 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is CN(Cc1cccc(C(F)(F)F)c1)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is GSNQEAMDYBRODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-21(15(12-20)8-3-2-4-9-15)11-13-6-5-7-14(10-13)16(17,18)19/h5-7,10H,2-4,8-9,11-12,20H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 300.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62007283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).