N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine

C16H15F3N2O — CID 175646894

IUPACN-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)(F)Oc1cccc(-c2ccc(CNC3CC3)cn2)c1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)22-14-3-1-2-12(8-14)15-7-4-11(10-21-15)9-20-13-5-6-13/h1-4,7-8,10,13,20H,5-6,9H2
InChIKeyUGCUKWUIHAVQAK-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.90
Rot. Bonds5

About N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine

N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 175646894) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID175646894
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)(F)Oc1cccc(-c2ccc(CNC3CC3)cn2)c1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)22-14-3-1-2-12(8-14)15-7-4-11(10-21-15)9-20-13-5-6-13/h1-4,7-8,10,13,20H,5-6,9H2
InChIKeyUGCUKWUIHAVQAK-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 175646893
N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646897
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
4-N,6-N,6-N-trimethyl-4-N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]pyrimidine-4,6-diamine
CID 154283599
N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146
3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900614
3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 103081758
3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
CID 103720846
3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid
CID 68606145
2-cyclopropyl-6-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945492
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine (CID 175646894) is N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine is FC(F)(F)Oc1cccc(-c2ccc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UGCUKWUIHAVQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-16(18,19)22-14-3-1-2-12(8-14)15-7-4-11(10-21-15)9-20-13-5-6-13/h1-4,7-8,10,13,20H,5-6,9H2.
What are the key properties of N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 308.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 175646894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).