1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride

C16H15ClF3NO — CID 167713453

IUPAC1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)CC1
InChIInChI=1S/C16H14F3NO.ClH/c17-16(18,19)21-14-6-2-4-12(10-14)11-3-1-5-13(9-11)15(20)7-8-15;/h1-6,9-10H,7-8,20H2;1H
InChIKeyKBTQOBNXFWPDIW-UHFFFAOYSA-N
MW329.75 g/mol
LogP4.62
Rot. Bonds3

About 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride

1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 167713453) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID167713453
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)CC1
InChIInChI=1S/C16H14F3NO.ClH/c17-16(18,19)21-14-6-2-4-12(10-14)11-3-1-5-13(9-11)15(20)7-8-15;/h1-6,9-10H,7-8,20H2;1H
InChIKeyKBTQOBNXFWPDIW-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine
CID 112707082
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 167713457
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine
CID 167713448
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 162368247
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride (CID 167713453) is 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)CC1.
What is the InChIKey of 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is KBTQOBNXFWPDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO.ClH/c17-16(18,19)21-14-6-2-4-12(10-14)11-3-1-5-13(9-11)15(20)7-8-15;/h1-6,9-10H,7-8,20H2;1H.
What are the key properties of 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride?
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 329.75 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 167713453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).