1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine

C22H19BrF2N2 — CID 166965254

IUPAC1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine
SMILESFc1cc(F)cc(NC2CN([C@H](c3ccccc3)c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C22H19BrF2N2/c23-17-8-6-16(7-9-17)22(15-4-2-1-3-5-15)27-13-21(14-27)26-20-11-18(24)10-19(25)12-20/h1-12,21-22,26H,13-14H2/t22-/m1/s1
InChIKeyIFFDGODJCJTNKI-JOCHJYFZSA-N
MW429.31 g/mol
LogP5.61
Rot. Bonds5

About 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine

1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine (PubChem CID 166965254) has the molecular formula C22H19BrF2N2 and a molecular weight of 429.31 g/mol. Its IUPAC name is 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine
PubChem CID166965254
Molecular FormulaC22H19BrF2N2
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC Name1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine
SMILESFc1cc(F)cc(NC2CN([C@H](c3ccccc3)c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C22H19BrF2N2/c23-17-8-6-16(7-9-17)22(15-4-2-1-3-5-15)27-13-21(14-27)26-20-11-18(24)10-19(25)12-20/h1-12,21-22,26H,13-14H2/t22-/m1/s1
InChIKeyIFFDGODJCJTNKI-JOCHJYFZSA-N
XLogP5.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.31
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine?
The IUPAC name of 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine (CID 166965254) is 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine.
What is the SMILES notation for 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine?
The canonical SMILES for 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine is Fc1cc(F)cc(NC2CN([C@H](c3ccccc3)c3ccc(Br)cc3)C2)c1.
What is the InChIKey of 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine?
The InChIKey is IFFDGODJCJTNKI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19BrF2N2/c23-17-8-6-16(7-9-17)22(15-4-2-1-3-5-15)27-13-21(14-27)26-20-11-18(24)10-19(25)12-20/h1-12,21-22,26H,13-14H2/t22-/m1/s1.
What are the key properties of 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine?
1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine has a molecular weight of 429.31 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-bromophenyl)-phenylmethyl]-N-(3,5-difluorophenyl)azetidin-3-amine is sourced from PubChem (CID 166965254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).