1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine

C17H18Cl2N2 — CID 69448819

IUPAC1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine
SMILESCC1C(N)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2/c1-11-16(20)10-21(11)17(12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,11,16-17H,10,20H2,1H3
InChIKeyNMZREQPYUSVIIX-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.11
Rot. Bonds3

About 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine

1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine (PubChem CID 69448819) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine
PubChem CID69448819
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine
SMILESCC1C(N)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2/c1-11-16(20)10-21(11)17(12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,11,16-17H,10,20H2,1H3
InChIKeyNMZREQPYUSVIIX-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine (CID 69448819) is 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine is CC1C(N)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine?
The InChIKey is NMZREQPYUSVIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-11-16(20)10-21(11)17(12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,11,16-17H,10,20H2,1H3.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine?
1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine has a molecular weight of 321.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-amine is sourced from PubChem (CID 69448819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).