3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine

C14H18FN — CID 107383087

IUPAC3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine
SMILESCc1ccc(F)cc1C1=CC(N)CCCC1
InChIInChI=1S/C14H18FN/c1-10-6-7-12(15)9-14(10)11-4-2-3-5-13(16)8-11/h6-9,13H,2-5,16H2,1H3
InChIKeySCPQPFWBKBWVDI-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.42
Rot. Bonds1

About 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine

3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine (PubChem CID 107383087) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine
PubChem CID107383087
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine
SMILESCc1ccc(F)cc1C1=CC(N)CCCC1
InChIInChI=1S/C14H18FN/c1-10-6-7-12(15)9-14(10)11-4-2-3-5-13(16)8-11/h6-9,13H,2-5,16H2,1H3
InChIKeySCPQPFWBKBWVDI-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-difluoro-3-methylphenyl)cyclohept-2-en-1-amine
CID 107383018
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
3-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532654
3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
CID 107383480
4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene
CID 175322734
3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298493
3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine
CID 65171992
3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177305
2-(4-fluoro-2-methylphenyl)cyclohexan-1-amine
CID 62801431
3-(2,4-difluorophenyl)cyclohex-2-en-1-ol
CID 65177210
3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine
CID 131014002
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine (CID 107383087) is 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine is Cc1ccc(F)cc1C1=CC(N)CCCC1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine?
The InChIKey is SCPQPFWBKBWVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-10-6-7-12(15)9-14(10)11-4-2-3-5-13(16)8-11/h6-9,13H,2-5,16H2,1H3.
What are the key properties of 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine?
3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine is sourced from PubChem (CID 107383087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).