N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine

C16H25FN2 — CID 65072540

IUPACN-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-3-9-19-10-4-5-14(8-11-19)18-15-7-6-13(2)16(17)12-15/h6-7,12,14,18H,3-5,8-11H2,1-2H3
InChIKeyFLLQVHXTDNKFKA-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.81
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine

N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine (PubChem CID 65072540) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
PubChem CID65072540
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-3-9-19-10-4-5-14(8-11-19)18-15-7-6-13(2)16(17)12-15/h6-7,12,14,18H,3-5,8-11H2,1-2H3
InChIKeyFLLQVHXTDNKFKA-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine (CID 65072540) is N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2ccc(C)c(F)c2)CC1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine?
The InChIKey is FLLQVHXTDNKFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-9-19-10-4-5-14(8-11-19)18-15-7-6-13(2)16(17)12-15/h6-7,12,14,18H,3-5,8-11H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine?
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine has a molecular weight of 264.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65072540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).