N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine

C12H22F3NO — CID 84737863

IUPACN-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine
SMILESCNCC1CCC(CC(OC)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-16-8-10-5-3-9(4-6-10)7-11(17-2)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyRCLSYCCTHIZNTJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.98
Rot. Bonds5

About N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine

N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine (PubChem CID 84737863) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine
PubChem CID84737863
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine
SMILESCNCC1CCC(CC(OC)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-16-8-10-5-3-9(4-6-10)7-11(17-2)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyRCLSYCCTHIZNTJ-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine (CID 84737863) is N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine is CNCC1CCC(CC(OC)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine?
The InChIKey is RCLSYCCTHIZNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-16-8-10-5-3-9(4-6-10)7-11(17-2)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine?
N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]methanamine is sourced from PubChem (CID 84737863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).