3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine

C17H26N2 — CID 142368102

IUPAC3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
SMILESCc1ccc(C2CN(CC3CN(C(C)C)C3)C2)cc1
InChIInChI=1S/C17H26N2/c1-13(2)19-9-15(10-19)8-18-11-17(12-18)16-6-4-14(3)5-7-16/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyKLDFUDRATHUSPH-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.73
Rot. Bonds4

About 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine

3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine (PubChem CID 142368102) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
PubChem CID142368102
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
SMILESCc1ccc(C2CN(CC3CN(C(C)C)C3)C2)cc1
InChIInChI=1S/C17H26N2/c1-13(2)19-9-15(10-19)8-18-11-17(12-18)16-6-4-14(3)5-7-16/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyKLDFUDRATHUSPH-UHFFFAOYSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 170373804
ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine
CID 171070213
3-phenyl-1-propan-2-ylazetidine
CID 23628
1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine
CID 155742728
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine
CID 167282500
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522
2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane
CID 171069822
5-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine
CID 137417873
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine?
The IUPAC name of 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine (CID 142368102) is 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine.
What is the SMILES notation for 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine?
The canonical SMILES for 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine is Cc1ccc(C2CN(CC3CN(C(C)C)C3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine?
The InChIKey is KLDFUDRATHUSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)19-9-15(10-19)8-18-11-17(12-18)16-6-4-14(3)5-7-16/h4-7,13,15,17H,8-12H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine?
3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine has a molecular weight of 258.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine is sourced from PubChem (CID 142368102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).