1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine

C17H26FNO — CID 65086410

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H26FNO/c1-3-5-13-6-4-10-17(19,11-9-13)14-7-8-16(20-2)15(18)12-14/h7-8,12-13H,3-6,9-11,19H2,1-2H3
InChIKeyYXALXOZFSLZYDG-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.37
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine

1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine (PubChem CID 65086410) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
PubChem CID65086410
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H26FNO/c1-3-5-13-6-4-10-17(19,11-9-13)14-7-8-16(20-2)15(18)12-14/h7-8,12-13H,3-6,9-11,19H2,1-2H3
InChIKeyYXALXOZFSLZYDG-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine (CID 65086410) is 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine?
The InChIKey is YXALXOZFSLZYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-5-13-6-4-10-17(19,11-9-13)14-7-8-16(20-2)15(18)12-14/h7-8,12-13H,3-6,9-11,19H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65086410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).