N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

C18H27FN2 — CID 106533057

IUPACN-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CC(C)C(C)N(c2cc(F)cc(CNC3CC3)c2)C1
InChIInChI=1S/C18H27FN2/c1-12-6-13(2)14(3)21(11-12)18-8-15(7-16(19)9-18)10-20-17-4-5-17/h7-9,12-14,17,20H,4-6,10-11H2,1-3H3
InChIKeyOKKVBSVIKMIQRB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.95
Rot. Bonds4

About N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 106533057) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID106533057
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CC(C)C(C)N(c2cc(F)cc(CNC3CC3)c2)C1
InChIInChI=1S/C18H27FN2/c1-12-6-13(2)14(3)21(11-12)18-8-15(7-16(19)9-18)10-20-17-4-5-17/h7-9,12-14,17,20H,4-6,10-11H2,1-3H3
InChIKeyOKKVBSVIKMIQRB-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106531107
N-[[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594212
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828
N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594245
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532790
N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533126
N-[[3,5-difluoro-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114594244
N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114597283
N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (CID 106533057) is N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is CC1CC(C)C(C)N(c2cc(F)cc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is OKKVBSVIKMIQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-12-6-13(2)14(3)21(11-12)18-8-15(7-16(19)9-18)10-20-17-4-5-17/h7-9,12-14,17,20H,4-6,10-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 290.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).