3-butyl-1-(4-propan-2-ylphenyl)azetidine

C16H25N — CID 178164726

IUPAC3-butyl-1-(4-propan-2-ylphenyl)azetidine
SMILESCCCCC1CN(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H25N/c1-4-5-6-14-11-17(12-14)16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyPJJCJSJJZCQODO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.44
Rot. Bonds5

About 3-butyl-1-(4-propan-2-ylphenyl)azetidine

3-butyl-1-(4-propan-2-ylphenyl)azetidine (PubChem CID 178164726) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-butyl-1-(4-propan-2-ylphenyl)azetidine.

Molecular Properties

Compound Name3-butyl-1-(4-propan-2-ylphenyl)azetidine
PubChem CID178164726
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-butyl-1-(4-propan-2-ylphenyl)azetidine
SMILESCCCCC1CN(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H25N/c1-4-5-6-14-11-17(12-14)16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyPJJCJSJJZCQODO-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-ylphenyl)azetidin-3-amine
CID 117002806
4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
CID 176934369
3-fluoro-1-(4-propan-2-ylphenyl)azetidine
CID 155453609
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
CID 164952945
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121262109
3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 170442503
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656
N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513515
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
(5R)-N,N-dibenzyl-3-(4-propan-2-ylphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 90969145

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(4-propan-2-ylphenyl)azetidine?
The IUPAC name of 3-butyl-1-(4-propan-2-ylphenyl)azetidine (CID 178164726) is 3-butyl-1-(4-propan-2-ylphenyl)azetidine.
What is the SMILES notation for 3-butyl-1-(4-propan-2-ylphenyl)azetidine?
The canonical SMILES for 3-butyl-1-(4-propan-2-ylphenyl)azetidine is CCCCC1CN(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 3-butyl-1-(4-propan-2-ylphenyl)azetidine?
The InChIKey is PJJCJSJJZCQODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-5-6-14-11-17(12-14)16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of 3-butyl-1-(4-propan-2-ylphenyl)azetidine?
3-butyl-1-(4-propan-2-ylphenyl)azetidine has a molecular weight of 231.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(4-propan-2-ylphenyl)azetidine is sourced from PubChem (CID 178164726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).