3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine

C10H14FN — CID 143109956

IUPAC3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine
SMILESNCCCC1=CC=C(F)C=CC1
InChIInChI=1S/C10H14FN/c11-10-5-1-3-9(6-7-10)4-2-8-12/h1,5-7H,2-4,8,12H2
InChIKeyLJSJRZSPONUSKH-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.46
Rot. Bonds3

About 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine

3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine (PubChem CID 143109956) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine
PubChem CID143109956
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine
SMILESNCCCC1=CC=C(F)C=CC1
InChIInChI=1S/C10H14FN/c11-10-5-1-3-9(6-7-10)4-2-8-12/h1,5-7H,2-4,8,12H2
InChIKeyLJSJRZSPONUSKH-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorocyclohepta-1,3,5-trien-1-yl)methanethiol
CID 142981239
4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine
CID 143094022
3-[3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propyl]-1-(4-fluorophenyl)-2-methoxy-4-methylazetidine
CID 143333601
2-(4H-azepin-5-yl)ethanamine
CID 129037495
1-(4-iodobutyl)cyclopenta-1,3-diene
CID 158882988
6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 154681135
4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142067704
3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine
CID 170564796
ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143109921
3-[3-(cyclohexylmethoxy)cyclohepta-1,3,5-trien-1-yl]propan-1-amine
CID 130373341
3-(3H-azepin-5-yl)propan-1-amine
CID 57125134
3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine
CID 117291420

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine?
The IUPAC name of 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine (CID 143109956) is 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine is NCCCC1=CC=C(F)C=CC1.
What is the InChIKey of 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine?
The InChIKey is LJSJRZSPONUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c11-10-5-1-3-9(6-7-10)4-2-8-12/h1,5-7H,2-4,8,12H2.
What are the key properties of 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine?
3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohepta-1,3,5-trien-1-yl)propan-1-amine is sourced from PubChem (CID 143109956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).