2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine

C13H21FN2 — CID 157256733

IUPAC2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine
SMILESC=C1C=C(C(F)CN(C)C)C=CN1C(C)C
InChIInChI=1S/C13H21FN2/c1-10(2)16-7-6-12(8-11(16)3)13(14)9-15(4)5/h6-8,10,13H,3,9H2,1-2,4-5H3
InChIKeyIBVCVDOVEWILON-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.56
Rot. Bonds4

About 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine

2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine (PubChem CID 157256733) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine
PubChem CID157256733
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine
SMILESC=C1C=C(C(F)CN(C)C)C=CN1C(C)C
InChIInChI=1S/C13H21FN2/c1-10(2)16-7-6-12(8-11(16)3)13(14)9-15(4)5/h6-8,10,13H,3,9H2,1-2,4-5H3
InChIKeyIBVCVDOVEWILON-UHFFFAOYSA-N
XLogP2.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129660793
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2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine
CID 59955801
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-(1-cyclopropylideneethyl)-N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]hexa-2,4-dien-3-amine
CID 123404943
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine?
The IUPAC name of 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine (CID 157256733) is 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine?
The canonical SMILES for 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine is C=C1C=C(C(F)CN(C)C)C=CN1C(C)C.
What is the InChIKey of 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine?
The InChIKey is IBVCVDOVEWILON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(2)16-7-6-12(8-11(16)3)13(14)9-15(4)5/h6-8,10,13H,3,9H2,1-2,4-5H3.
What are the key properties of 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine?
2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine has a molecular weight of 224.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine is sourced from PubChem (CID 157256733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).