1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine

C10H12ClFN2 — CID 114857925

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C10H12ClFN2/c11-8-1-2-10(12)7(3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2
InChIKeyNFWYWMMCFJSHPE-UHFFFAOYSA-N
MW214.67 g/mol
LogP1.62
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine

1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine (PubChem CID 114857925) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
PubChem CID114857925
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C10H12ClFN2/c11-8-1-2-10(12)7(3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2
InChIKeyNFWYWMMCFJSHPE-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]acetonitrile
CID 117044806
1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
CID 65244841
1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine
CID 171785009
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79582573
methyl 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 103887264

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine (CID 114857925) is 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine is NC1CN(Cc2cc(Cl)ccc2F)C1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine?
The InChIKey is NFWYWMMCFJSHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c11-8-1-2-10(12)7(3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine?
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine has a molecular weight of 214.67 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 114857925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).