3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine

C18H28FN — CID 105375525

IUPAC3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(Cc2cc(F)ccc2C)C1
InChIInChI=1S/C18H28FN/c1-3-10-20-18-7-5-4-6-15(12-18)11-16-13-17(19)9-8-14(16)2/h8-9,13,15,18,20H,3-7,10-12H2,1-2H3
InChIKeyUUWPXJWFXYNSCL-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.63
Rot. Bonds5

About 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine

3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine (PubChem CID 105375525) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine
PubChem CID105375525
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(Cc2cc(F)ccc2C)C1
InChIInChI=1S/C18H28FN/c1-3-10-20-18-7-5-4-6-15(12-18)11-16-13-17(19)9-8-14(16)2/h8-9,13,15,18,20H,3-7,10-12H2,1-2H3
InChIKeyUUWPXJWFXYNSCL-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorocyclopentyl)methyl]-4-fluoro-1-methylbenzene
CID 105375583
3-[(4-fluorophenyl)methyl]-N-propylcyclopentan-1-amine
CID 64503574
3-[(2-bromo-5-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 65326445
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine
CID 114075963
1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 114345620
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
9-(5-fluoro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714679
N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104737007
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
N-[[2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 105376317

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine (CID 105375525) is 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine is CCCNC1CCCCC(Cc2cc(F)ccc2C)C1.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine?
The InChIKey is UUWPXJWFXYNSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-3-10-20-18-7-5-4-6-15(12-18)11-16-13-17(19)9-8-14(16)2/h8-9,13,15,18,20H,3-7,10-12H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine?
3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.63, 5 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)methyl]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 105375525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).