4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline

C12H16ClNO — CID 107266013

IUPAC4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline
SMILESCOc1cc(NCCC2CC2)ccc1Cl
InChIInChI=1S/C12H16ClNO/c1-15-12-8-10(4-5-11(12)13)14-7-6-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3
InChIKeyDCLRNKLWMHFCFL-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.56
Rot. Bonds5

About 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline

4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline (PubChem CID 107266013) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline
PubChem CID107266013
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline
SMILESCOc1cc(NCCC2CC2)ccc1Cl
InChIInChI=1S/C12H16ClNO/c1-15-12-8-10(4-5-11(12)13)14-7-6-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3
InChIKeyDCLRNKLWMHFCFL-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66996313
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4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
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2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
CID 107266016
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
CID 106750937
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline?
The IUPAC name of 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline (CID 107266013) is 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline is COc1cc(NCCC2CC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline?
The InChIKey is DCLRNKLWMHFCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-12-8-10(4-5-11(12)13)14-7-6-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3.
What are the key properties of 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline?
4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline has a molecular weight of 225.72 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline is sourced from PubChem (CID 107266013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).