[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine

C14H21FN2 — CID 79687646

IUPAC[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine
SMILESCCCC1CN(Cc2ccc(CN)cc2F)C1
InChIInChI=1S/C14H21FN2/c1-2-3-12-8-17(9-12)10-13-5-4-11(7-16)6-14(13)15/h4-6,12H,2-3,7-10,16H2,1H3
InChIKeyIWEXJNWWZZFNDJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.52
Rot. Bonds5

About [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine

[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine (PubChem CID 79687646) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine
PubChem CID79687646
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine
SMILESCCCC1CN(Cc2ccc(CN)cc2F)C1
InChIInChI=1S/C14H21FN2/c1-2-3-12-8-17(9-12)10-13-5-4-11(7-16)6-14(13)15/h4-6,12H,2-3,7-10,16H2,1H3
InChIKeyIWEXJNWWZZFNDJ-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine (CID 79687646) is [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine is CCCC1CN(Cc2ccc(CN)cc2F)C1.
What is the InChIKey of [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is IWEXJNWWZZFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-3-12-8-17(9-12)10-13-5-4-11(7-16)6-14(13)15/h4-6,12H,2-3,7-10,16H2,1H3.
What are the key properties of [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine?
[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 79687646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).