1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine

C16H26N2 — CID 115207690

IUPAC1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine
SMILESCc1ccc(C(C)C)cc1CN(C)CC1CNC1
InChIInChI=1S/C16H26N2/c1-12(2)15-6-5-13(3)16(7-15)11-18(4)10-14-8-17-9-14/h5-7,12,14,17H,8-11H2,1-4H3
InChIKeyHWHGQMBTKZVYSJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.77
Rot. Bonds5

About 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine

1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine (PubChem CID 115207690) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine
PubChem CID115207690
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine
SMILESCc1ccc(C(C)C)cc1CN(C)CC1CNC1
InChIInChI=1S/C16H26N2/c1-12(2)15-6-5-13(3)16(7-15)11-18(4)10-14-8-17-9-14/h5-7,12,14,17H,8-11H2,1-4H3
InChIKeyHWHGQMBTKZVYSJ-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
CID 115207693
1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115222369
3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
CID 178127637
2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115251583
ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
CID 178127636
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
[methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]amino]methanethiol
CID 115228441
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
CID 117044196

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine (CID 115207690) is 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine is Cc1ccc(C(C)C)cc1CN(C)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine?
The InChIKey is HWHGQMBTKZVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)15-6-5-13(3)16(7-15)11-18(4)10-14-8-17-9-14/h5-7,12,14,17H,8-11H2,1-4H3.
What are the key properties of 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine?
1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine is sourced from PubChem (CID 115207690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).