N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine

C18H21FN2 — CID 115804971

IUPACN-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H21FN2/c1-2-8-21-18(14-9-15(19)12-20-11-14)17-10-16(17)13-6-4-3-5-7-13/h3-7,9,11-12,16-18,21H,2,8,10H2,1H3
InChIKeySSFXZXUNUDPWAA-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.07
Rot. Bonds6

About N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 115804971) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID115804971
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H21FN2/c1-2-8-21-18(14-9-15(19)12-20-11-14)17-10-16(17)13-6-4-3-5-7-13/h3-7,9,11-12,16-18,21H,2,8,10H2,1H3
InChIKeySSFXZXUNUDPWAA-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115805290
N-[(5-methylpyrazin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189004
N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106693341
N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105188964
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052687
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 115804971) is N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cncc(F)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is SSFXZXUNUDPWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-8-21-18(14-9-15(19)12-20-11-14)17-10-16(17)13-6-4-3-5-7-13/h3-7,9,11-12,16-18,21H,2,8,10H2,1H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 284.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 115804971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).