2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline

C11H14ClNO — CID 130877520

IUPAC2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCC2CC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-14-9-4-5-11(10(12)6-9)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyCAFPCRAGQMIUAG-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.17
Rot. Bonds4

About 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline

2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline (PubChem CID 130877520) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
PubChem CID130877520
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCC2CC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-14-9-4-5-11(10(12)6-9)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyCAFPCRAGQMIUAG-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208589
[2-(cyclopropylmethylamino)-5-methoxyphenyl]-methoxy-oxoazanium
CID 123609522
2,4-dichloro-N-(cyclobutylmethyl)aniline
CID 65458024
N-[(4-tert-butylcyclohexyl)methyl]-2-chloro-4-methylaniline
CID 104574833
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734
N-(2-chloro-4-methoxyphenyl)thian-4-amine
CID 115877189
(2-chloro-4-methoxyphenyl)hydrazine;hydrochloride
CID 132585199
2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115131658
2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654344

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline (CID 130877520) is 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline is COc1ccc(NCC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline?
The InChIKey is CAFPCRAGQMIUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-9-4-5-11(10(12)6-9)13-7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline?
2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline has a molecular weight of 211.69 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline is sourced from PubChem (CID 130877520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).