5-chloro-4-(cyclopropylmethoxy)-2-methylaniline

C11H14ClNO — CID 130549167

IUPAC5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
SMILESCc1cc(OCC2CC2)c(Cl)cc1N
InChIInChI=1S/C11H14ClNO/c1-7-4-11(9(12)5-10(7)13)14-6-8-2-3-8/h4-5,8H,2-3,6,13H2,1H3
InChIKeyZGHAYNIQQWJDDU-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.02
Rot. Bonds3

About 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline

5-chloro-4-(cyclopropylmethoxy)-2-methylaniline (PubChem CID 130549167) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline.

Molecular Properties

Compound Name5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
PubChem CID130549167
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
SMILESCc1cc(OCC2CC2)c(Cl)cc1N
InChIInChI=1S/C11H14ClNO/c1-7-4-11(9(12)5-10(7)13)14-6-8-2-3-8/h4-5,8H,2-3,6,13H2,1H3
InChIKeyZGHAYNIQQWJDDU-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.02
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-bromo-5-(cyclopropylmethoxy)-2-methylaniline
CID 121221486
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
CID 43560597
1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine
CID 170894962
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
CID 90027888
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline?
The IUPAC name of 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline (CID 130549167) is 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline.
What is the SMILES notation for 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline?
The canonical SMILES for 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline is Cc1cc(OCC2CC2)c(Cl)cc1N.
What is the InChIKey of 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline?
The InChIKey is ZGHAYNIQQWJDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-4-11(9(12)5-10(7)13)14-6-8-2-3-8/h4-5,8H,2-3,6,13H2,1H3.
What are the key properties of 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline?
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline has a molecular weight of 211.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopropylmethoxy)-2-methylaniline is sourced from PubChem (CID 130549167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).