3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine

C14H20ClN — CID 164927220

IUPAC3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine
SMILESCC(C)(C)C1CN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClN/c1-14(2,3)12-9-16(10-12)8-11-5-4-6-13(15)7-11/h4-7,12H,8-10H2,1-3H3
InChIKeyKIVZUSVPPYAJTN-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.82
Rot. Bonds2

About 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine

3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine (PubChem CID 164927220) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine
PubChem CID164927220
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine
SMILESCC(C)(C)C1CN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClN/c1-14(2,3)12-9-16(10-12)8-11-5-4-6-13(15)7-11/h4-7,12H,8-10H2,1-3H3
InChIKeyKIVZUSVPPYAJTN-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-tert-butylazetidin-1-yl)methyl]aniline
CID 79689119
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
CID 164785326
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
4-[[(3R,5S)-4-[(3-chlorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259846
(3R,3aS,6aR)-5-[(3-chlorophenyl)methyl]-2-methyl-3-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 171329841
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
(3S,4S)-1-[(3-chlorophenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120942836
1-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83980928
4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine
CID 163353082
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine?
The IUPAC name of 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine (CID 164927220) is 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine?
The canonical SMILES for 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine is CC(C)(C)C1CN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine?
The InChIKey is KIVZUSVPPYAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-14(2,3)12-9-16(10-12)8-11-5-4-6-13(15)7-11/h4-7,12H,8-10H2,1-3H3.
What are the key properties of 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine?
3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine has a molecular weight of 237.77 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine is sourced from PubChem (CID 164927220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).