N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride

C17H17ClF3N — CID 68928190

IUPACN-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
SMILESCNC1CC1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.Cl
InChIInChI=1S/C17H16F3N.ClH/c1-21-16-10-15(16)13-4-2-11(3-5-13)12-6-8-14(9-7-12)17(18,19)20;/h2-9,15-16,21H,10H2,1H3;1H
InChIKeyZKRKWIIPMVRQGY-UHFFFAOYSA-N
MW327.78 g/mol
LogP4.87
Rot. Bonds3

About N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride

N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 68928190) has the molecular formula C17H17ClF3N and a molecular weight of 327.78 g/mol. Its IUPAC name is N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID68928190
Molecular FormulaC17H17ClF3N
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC NameN-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
SMILESCNC1CC1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.Cl
InChIInChI=1S/C17H16F3N.ClH/c1-21-16-10-15(16)13-4-2-11(3-5-13)12-6-8-14(9-7-12)17(18,19)20;/h2-9,15-16,21H,10H2,1H3;1H
InChIKeyZKRKWIIPMVRQGY-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride (CID 68928190) is N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride is CNC1CC1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.Cl.
What is the InChIKey of N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is ZKRKWIIPMVRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N.ClH/c1-21-16-10-15(16)13-4-2-11(3-5-13)12-6-8-14(9-7-12)17(18,19)20;/h2-9,15-16,21H,10H2,1H3;1H.
What are the key properties of N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride?
N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 327.78 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 68928190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).