N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine

C14H18F3N — CID 106797601

IUPACN-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine
SMILESCNC(C)C1(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3N/c1-10(18-2)13(7-8-13)9-11-3-5-12(6-4-11)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3
InChIKeyDBVQDSYMGKAVLR-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.64
Rot. Bonds4

About N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine

N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine (PubChem CID 106797601) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine
PubChem CID106797601
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine
SMILESCNC(C)C1(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3N/c1-10(18-2)13(7-8-13)9-11-3-5-12(6-4-11)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3
InChIKeyDBVQDSYMGKAVLR-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine?
The IUPAC name of N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine (CID 106797601) is N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine is CNC(C)C1(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine?
The InChIKey is DBVQDSYMGKAVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10(18-2)13(7-8-13)9-11-3-5-12(6-4-11)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine?
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine has a molecular weight of 257.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 106797601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).