1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine

C18H22N2 — CID 65244615

IUPAC1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine
SMILESCc1ccc(C(c2ccccc2)N2CC(N)C2)c(C)c1
InChIInChI=1S/C18H22N2/c1-13-8-9-17(14(2)10-13)18(20-11-16(19)12-20)15-6-4-3-5-7-15/h3-10,16,18H,11-12,19H2,1-2H3
InChIKeyKEFJTPHLOULASP-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.04
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine

1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine (PubChem CID 65244615) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine
PubChem CID65244615
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine
SMILESCc1ccc(C(c2ccccc2)N2CC(N)C2)c(C)c1
InChIInChI=1S/C18H22N2/c1-13-8-9-17(14(2)10-13)18(20-11-16(19)12-20)15-6-4-3-5-7-15/h3-10,16,18H,11-12,19H2,1-2H3
InChIKeyKEFJTPHLOULASP-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-aminoazetidin-1-yl)-phenylmethyl]benzene-1,2,3-triol
CID 65244616
2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol
CID 65244608
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
CID 65244438
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
2-[2-[(3-aminoazetidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71246732
1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3305516
1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3514597
1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
CID 3843964
1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 3564402

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine?
The IUPAC name of 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine (CID 65244615) is 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine?
The canonical SMILES for 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine is Cc1ccc(C(c2ccccc2)N2CC(N)C2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine?
The InChIKey is KEFJTPHLOULASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-8-9-17(14(2)10-13)18(20-11-16(19)12-20)15-6-4-3-5-7-15/h3-10,16,18H,11-12,19H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine?
1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine is sourced from PubChem (CID 65244615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).