1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

C16H17FN2 — CID 116517836

IUPAC1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1ccncc1F)C1CC1c1ccccc1
InChIInChI=1S/C16H17FN2/c1-18-16(12-7-8-19-10-15(12)17)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16,18H,9H2,1H3
InChIKeyBZOOQUKUHKXNOE-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 116517836) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID116517836
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1ccncc1F)C1CC1c1ccccc1
InChIInChI=1S/C16H17FN2/c1-18-16(12-7-8-19-10-15(12)17)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16,18H,9H2,1H3
InChIKeyBZOOQUKUHKXNOE-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 116517288
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115855352
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105398891
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 114031727
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517909
N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105189051
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597
(3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine
CID 105066143
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105047333

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 116517836) is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(c1ccncc1F)C1CC1c1ccccc1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is BZOOQUKUHKXNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-18-16(12-7-8-19-10-15(12)17)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16,18H,9H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 256.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116517836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).