1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine

C15H22Cl2N2 — CID 142118285

IUPAC1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine
SMILESCCC1CC(CC(C)N)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-3-12-8-13(6-10(2)18)19(12)9-11-4-5-14(16)15(17)7-11/h4-5,7,10,12-13H,3,6,8-9,18H2,1-2H3
InChIKeyBASFFPPTHXACCY-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.08
Rot. Bonds5

About 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine

1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine (PubChem CID 142118285) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine
PubChem CID142118285
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine
SMILESCCC1CC(CC(C)N)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-3-12-8-13(6-10(2)18)19(12)9-11-4-5-14(16)15(17)7-11/h4-5,7,10,12-13H,3,6,8-9,18H2,1-2H3
InChIKeyBASFFPPTHXACCY-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine (CID 142118285) is 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine is CCC1CC(CC(C)N)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine?
The InChIKey is BASFFPPTHXACCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-3-12-8-13(6-10(2)18)19(12)9-11-4-5-14(16)15(17)7-11/h4-5,7,10,12-13H,3,6,8-9,18H2,1-2H3.
What are the key properties of 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine?
1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine has a molecular weight of 301.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dichlorophenyl)methyl]-4-ethylazetidin-2-yl]propan-2-amine is sourced from PubChem (CID 142118285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).