N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine

C15H20FN3 — CID 81447747

IUPACN-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
SMILESCCCn1ccnc1-c1ccc(CNCC)cc1F
InChIInChI=1S/C15H20FN3/c1-3-8-19-9-7-18-15(19)13-6-5-12(10-14(13)16)11-17-4-2/h5-7,9-10,17H,3-4,8,11H2,1-2H3
InChIKeyRPUNQZYRWXDZTR-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.21
Rot. Bonds6

About N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine

N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine (PubChem CID 81447747) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
PubChem CID81447747
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
SMILESCCCn1ccnc1-c1ccc(CNCC)cc1F
InChIInChI=1S/C15H20FN3/c1-3-8-19-9-7-18-15(19)13-6-5-12(10-14(13)16)11-17-4-2/h5-7,9-10,17H,3-4,8,11H2,1-2H3
InChIKeyRPUNQZYRWXDZTR-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63974370
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 66159923
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine
CID 102626421
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
5-methyl-2-(1-propylimidazol-2-yl)aniline
CID 82766219
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine (CID 81447747) is N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine is CCCn1ccnc1-c1ccc(CNCC)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine?
The InChIKey is RPUNQZYRWXDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-8-19-9-7-18-15(19)13-6-5-12(10-14(13)16)11-17-4-2/h5-7,9-10,17H,3-4,8,11H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81447747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).