1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine

C18H28FN — CID 105373119

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(Cc2cc(F)ccc2C)CC1
InChIInChI=1S/C18H28FN/c1-3-5-15-6-4-10-18(20,11-9-15)13-16-12-17(19)8-7-14(16)2/h7-8,12,15H,3-6,9-11,13,20H2,1-2H3
InChIKeyQSRJVUCZVFGFGQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.75
Rot. Bonds4

About 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine

1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 105373119) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
PubChem CID105373119
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(Cc2cc(F)ccc2C)CC1
InChIInChI=1S/C18H28FN/c1-3-5-15-6-4-10-18(20,11-9-15)13-16-12-17(19)8-7-14(16)2/h7-8,12,15H,3-6,9-11,13,20H2,1-2H3
InChIKeyQSRJVUCZVFGFGQ-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine (CID 105373119) is 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(Cc2cc(F)ccc2C)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is QSRJVUCZVFGFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-3-5-15-6-4-10-18(20,11-9-15)13-16-12-17(19)8-7-14(16)2/h7-8,12,15H,3-6,9-11,13,20H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine?
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 105373119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).