3-chloro-N-(3-ethoxycyclobutyl)aniline

C12H16ClNO — CID 112568351

IUPAC3-chloro-N-(3-ethoxycyclobutyl)aniline
SMILESCCOC1CC(Nc2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClNO/c1-2-15-12-7-11(8-12)14-10-5-3-4-9(13)6-10/h3-6,11-12,14H,2,7-8H2,1H3
InChIKeyBMRYUCXRZWKPQQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.32
Rot. Bonds4

About 3-chloro-N-(3-ethoxycyclobutyl)aniline

3-chloro-N-(3-ethoxycyclobutyl)aniline (PubChem CID 112568351) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-N-(3-ethoxycyclobutyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(3-ethoxycyclobutyl)aniline
PubChem CID112568351
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-N-(3-ethoxycyclobutyl)aniline
SMILESCCOC1CC(Nc2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClNO/c1-2-15-12-7-11(8-12)14-10-5-3-4-9(13)6-10/h3-6,11-12,14H,2,7-8H2,1H3
InChIKeyBMRYUCXRZWKPQQ-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxycyclobutyl)-3-methylsulfanylaniline
CID 112561869
N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
CID 112572842
2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 112573937
3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 115929864
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
N-(3-ethoxycyclobutyl)quinolin-6-amine
CID 112573906
3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435
5-chloro-N-(3-ethoxycyclobutyl)-3-fluoropyridin-2-amine
CID 102609279
N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466507
[1-(3-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170410
4-N-(3-ethoxycyclobutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 115918954
7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine
CID 114119919

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethoxycyclobutyl)aniline?
The IUPAC name of 3-chloro-N-(3-ethoxycyclobutyl)aniline (CID 112568351) is 3-chloro-N-(3-ethoxycyclobutyl)aniline.
What is the SMILES notation for 3-chloro-N-(3-ethoxycyclobutyl)aniline?
The canonical SMILES for 3-chloro-N-(3-ethoxycyclobutyl)aniline is CCOC1CC(Nc2cccc(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-(3-ethoxycyclobutyl)aniline?
The InChIKey is BMRYUCXRZWKPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-15-12-7-11(8-12)14-10-5-3-4-9(13)6-10/h3-6,11-12,14H,2,7-8H2,1H3.
What are the key properties of 3-chloro-N-(3-ethoxycyclobutyl)aniline?
3-chloro-N-(3-ethoxycyclobutyl)aniline has a molecular weight of 225.72 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethoxycyclobutyl)aniline is sourced from PubChem (CID 112568351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).