4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline

C11H15ClN2 — CID 79688977

IUPAC4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline
SMILESCC1(C)CN(c2cc(Cl)ccc2N)C1
InChIInChI=1S/C11H15ClN2/c1-11(2)6-14(7-11)10-5-8(12)3-4-9(10)13/h3-5H,6-7,13H2,1-2H3
InChIKeyNLLLGKAPHCJVBK-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.77
Rot. Bonds1

About 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline

4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline (PubChem CID 79688977) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline
PubChem CID79688977
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline
SMILESCC1(C)CN(c2cc(Cl)ccc2N)C1
InChIInChI=1S/C11H15ClN2/c1-11(2)6-14(7-11)10-5-8(12)3-4-9(10)13/h3-5H,6-7,13H2,1-2H3
InChIKeyNLLLGKAPHCJVBK-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033
2-(azepan-1-yl)-4-chloroaniline
CID 79688976
3-chloro-4-(3,3-dimethylazetidin-1-yl)aniline
CID 79688384
1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol
CID 106667619
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
CID 115469095
4-chloro-2-(4-methyl-1,4-diazepan-1-yl)aniline
CID 115468464
4-chloro-2-[(3R)-3-methylpiperazin-1-yl]aniline
CID 21034047
2-[6-(4-chloro-2-fluorophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]aniline
CID 156503572
4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
CID 115469047
4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
CID 115469103
1-[4-chloro-2-(3,3-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 114862009
4-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 115468437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline?
The IUPAC name of 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline (CID 79688977) is 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline.
What is the SMILES notation for 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline?
The canonical SMILES for 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline is CC1(C)CN(c2cc(Cl)ccc2N)C1.
What is the InChIKey of 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline?
The InChIKey is NLLLGKAPHCJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-11(2)6-14(7-11)10-5-8(12)3-4-9(10)13/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline?
4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline has a molecular weight of 210.71 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline is sourced from PubChem (CID 79688977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).