3,4-dichloro-N-(1-cyclopropylethyl)aniline

C11H13Cl2N — CID 43110972

IUPAC3,4-dichloro-N-(1-cyclopropylethyl)aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C11H13Cl2N/c1-7(8-2-3-8)14-9-4-5-10(12)11(13)6-9/h4-8,14H,2-3H2,1H3
InChIKeyFGLXLJHGSXGKSU-UHFFFAOYSA-N
MW230.14 g/mol
LogP4.20
Rot. Bonds3

About 3,4-dichloro-N-(1-cyclopropylethyl)aniline

3,4-dichloro-N-(1-cyclopropylethyl)aniline (PubChem CID 43110972) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-cyclopropylethyl)aniline.

Molecular Properties

Compound Name3,4-dichloro-N-(1-cyclopropylethyl)aniline
PubChem CID43110972
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name3,4-dichloro-N-(1-cyclopropylethyl)aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C11H13Cl2N/c1-7(8-2-3-8)14-9-4-5-10(12)11(13)6-9/h4-8,14H,2-3H2,1H3
InChIKeyFGLXLJHGSXGKSU-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(1-cyclopropylethyl)-4-propan-2-yloxyaniline
CID 43727180
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
CID 43690232
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
3-chloro-N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43727182
4-bromo-N-(1-cyclopropylethyl)aniline
CID 43194534
6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine
CID 103529167
N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine
CID 115922171
4-(1-cyclopropylethylamino)benzene-1,2-dicarbonitrile
CID 104819789
4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 107620997

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-cyclopropylethyl)aniline?
The IUPAC name of 3,4-dichloro-N-(1-cyclopropylethyl)aniline (CID 43110972) is 3,4-dichloro-N-(1-cyclopropylethyl)aniline.
What is the SMILES notation for 3,4-dichloro-N-(1-cyclopropylethyl)aniline?
The canonical SMILES for 3,4-dichloro-N-(1-cyclopropylethyl)aniline is CC(Nc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 3,4-dichloro-N-(1-cyclopropylethyl)aniline?
The InChIKey is FGLXLJHGSXGKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-7(8-2-3-8)14-9-4-5-10(12)11(13)6-9/h4-8,14H,2-3H2,1H3.
What are the key properties of 3,4-dichloro-N-(1-cyclopropylethyl)aniline?
3,4-dichloro-N-(1-cyclopropylethyl)aniline has a molecular weight of 230.14 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-cyclopropylethyl)aniline is sourced from PubChem (CID 43110972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).