1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine

C11H14F2N2 — CID 115524640

IUPAC1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESNC1CN(Cc2ccc(C(F)F)cc2)C1
InChIInChI=1S/C11H14F2N2/c12-11(13)9-3-1-8(2-4-9)5-15-6-10(14)7-15/h1-4,10-11H,5-7,14H2
InChIKeyJDDBJPPZMCEYEI-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.77
Rot. Bonds3

About 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine

1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine (PubChem CID 115524640) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine
PubChem CID115524640
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESNC1CN(Cc2ccc(C(F)F)cc2)C1
InChIInChI=1S/C11H14F2N2/c12-11(13)9-3-1-8(2-4-9)5-15-6-10(14)7-15/h1-4,10-11H,5-7,14H2
InChIKeyJDDBJPPZMCEYEI-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
[(3R,4R)-1-[[4-(difluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846619
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834027
1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
CID 65244841
3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 138715501
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
(3S,4R)-1-benzyl-4-(difluoromethyl)pyrrolidin-3-amine
CID 146050042

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine?
The IUPAC name of 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine (CID 115524640) is 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine.
What is the SMILES notation for 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine?
The canonical SMILES for 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine is NC1CN(Cc2ccc(C(F)F)cc2)C1.
What is the InChIKey of 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine?
The InChIKey is JDDBJPPZMCEYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-11(13)9-3-1-8(2-4-9)5-15-6-10(14)7-15/h1-4,10-11H,5-7,14H2.
What are the key properties of 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine?
1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine has a molecular weight of 212.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine is sourced from PubChem (CID 115524640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).