N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride

C11H13ClF3N — CID 166520360

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(CNC2CC2)c1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)9-3-1-2-8(6-9)7-15-10-4-5-10;/h1-3,6,10,15H,4-5,7H2;1H
InChIKeyBHTYFSWTHMXQQE-UHFFFAOYSA-N
MW251.68 g/mol
LogP3.38
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride

N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride (PubChem CID 166520360) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
PubChem CID166520360
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(CNC2CC2)c1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)9-3-1-2-8(6-9)7-15-10-4-5-10;/h1-3,6,10,15H,4-5,7H2;1H
InChIKeyBHTYFSWTHMXQQE-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine
CID 116992767
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331822
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine
CID 156602633
4-N,4-N,5-trimethyl-2-N-[4-[[3-(trifluoromethyl)phenyl]methylamino]cyclohexyl]pyrimidine-2,4-diamine
CID 87995759

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride (CID 166520360) is N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride is Cl.FC(F)(F)c1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride?
The InChIKey is BHTYFSWTHMXQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-3-1-2-8(6-9)7-15-10-4-5-10;/h1-3,6,10,15H,4-5,7H2;1H.
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride?
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride has a molecular weight of 251.68 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 166520360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).