2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine

C15H24N2 — CID 79686472

IUPAC2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine
SMILESCCC1CN(c2ccc(C(C)(C)CN)cc2)C1
InChIInChI=1S/C15H24N2/c1-4-12-9-17(10-12)14-7-5-13(6-8-14)15(2,3)11-16/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyBJMQXPFAJKHORA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine

2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine (PubChem CID 79686472) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine
PubChem CID79686472
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine
SMILESCCC1CN(c2ccc(C(C)(C)CN)cc2)C1
InChIInChI=1S/C15H24N2/c1-4-12-9-17(10-12)14-7-5-13(6-8-14)15(2,3)11-16/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyBJMQXPFAJKHORA-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine (CID 79686472) is 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine is CCC1CN(c2ccc(C(C)(C)CN)cc2)C1.
What is the InChIKey of 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine?
The InChIKey is BJMQXPFAJKHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-12-9-17(10-12)14-7-5-13(6-8-14)15(2,3)11-16/h5-8,12H,4,9-11,16H2,1-3H3.
What are the key properties of 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine?
2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethylazetidin-1-yl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79686472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).