2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine

C11H14Cl2N2 — CID 142799873

IUPAC2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine
SMILESNC(CN1CCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c12-9-3-2-8(6-10(9)13)11(14)7-15-4-1-5-15/h2-3,6,11H,1,4-5,7,14H2
InChIKeyYPONJYDXRLTCDJ-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.70
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine

2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine (PubChem CID 142799873) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine
PubChem CID142799873
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine
SMILESNC(CN1CCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c12-9-3-2-8(6-10(9)13)11(14)7-15-4-1-5-15/h2-3,6,11H,1,4-5,7,14H2
InChIKeyYPONJYDXRLTCDJ-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 175078061
(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 90190177
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
3-(1-amino-2-piperidin-1-ylethyl)phenol
CID 117242599
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
CID 16788978

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine (CID 142799873) is 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine is NC(CN1CCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine?
The InChIKey is YPONJYDXRLTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-9-3-2-8(6-10(9)13)11(14)7-15-4-1-5-15/h2-3,6,11H,1,4-5,7,14H2.
What are the key properties of 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine?
2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine has a molecular weight of 245.15 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 142799873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).