N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine

C14H21FN2 — CID 107004989

IUPACN-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)C1CC1(C)C
InChIInChI=1S/C14H21FN2/c1-4-6-17-13(11-8-14(11,2)3)10-5-7-16-9-12(10)15/h5,7,9,11,13,17H,4,6,8H2,1-3H3
InChIKeyXVRCHVIDXDFLFA-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.31
Rot. Bonds5

About N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine

N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine (PubChem CID 107004989) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
PubChem CID107004989
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)C1CC1(C)C
InChIInChI=1S/C14H21FN2/c1-4-6-17-13(11-8-14(11,2)3)10-5-7-16-9-12(10)15/h5,7,9,11,13,17H,4,6,8H2,1-3H3
InChIKeyXVRCHVIDXDFLFA-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105038262
N-[(2,2-dimethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107190887
N-[(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623400
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107002016

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine (CID 107004989) is N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccncc1F)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is XVRCHVIDXDFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-6-17-13(11-8-14(11,2)3)10-5-7-16-9-12(10)15/h5,7,9,11,13,17H,4,6,8H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 107004989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).