2-(cyclopropylmethyl)-4,5-dimethoxyaniline

C12H17NO2 — CID 86240177

IUPAC2-(cyclopropylmethyl)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(CC2CC2)cc1OC
InChIInChI=1S/C12H17NO2/c1-14-11-6-9(5-8-3-4-8)10(13)7-12(11)15-2/h6-8H,3-5,13H2,1-2H3
InChIKeyOUKWBMSOSFWKEK-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.24
Rot. Bonds4

About 2-(cyclopropylmethyl)-4,5-dimethoxyaniline

2-(cyclopropylmethyl)-4,5-dimethoxyaniline (PubChem CID 86240177) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4,5-dimethoxyaniline
PubChem CID86240177
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(cyclopropylmethyl)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(CC2CC2)cc1OC
InChIInChI=1S/C12H17NO2/c1-14-11-6-9(5-8-3-4-8)10(13)7-12(11)15-2/h6-8H,3-5,13H2,1-2H3
InChIKeyOUKWBMSOSFWKEK-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-Dimethoxyphenethyl)aniline
CID 14256024
4,5-Dimethoxy-2-nitrotoluene
CID 139040
4,5-Dimethoxy-2-nitrophenylacetonitrile
CID 222992
4,5-Dimethoxy-2-methylaniline
CID 266585
2-Amino-4,5-dimethoxybenzonitrile
CID 735967
5',6'-Dimethoxyspiro[cyclobutane-1,3'-indole]-2'-amine
CID 76335720
7-Methyl-2,3-dihydro-benzo[1,4]dioxin-6-ylamine
CID 5136721
4,5-Dimethoxy-2-(trifluoromethyl)aniline
CID 290796
5',6'-Dimethoxyspiro[cyclopentane-1,3'-indole]-2'-amine
CID 76328419
5',6'-Dimethoxyspiro[cyclohexane-1,3'-indol]-2'-amine
CID 76328420
4-(Benzyloxy)-3-methoxyaniline
CID 27226
6-Methyl-1,3-dioxaindan-5-amine
CID 12445340

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4,5-dimethoxyaniline?
The IUPAC name of 2-(cyclopropylmethyl)-4,5-dimethoxyaniline (CID 86240177) is 2-(cyclopropylmethyl)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(cyclopropylmethyl)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(cyclopropylmethyl)-4,5-dimethoxyaniline is COc1cc(N)c(CC2CC2)cc1OC.
What is the InChIKey of 2-(cyclopropylmethyl)-4,5-dimethoxyaniline?
The InChIKey is OUKWBMSOSFWKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-11-6-9(5-8-3-4-8)10(13)7-12(11)15-2/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-4,5-dimethoxyaniline?
2-(cyclopropylmethyl)-4,5-dimethoxyaniline has a molecular weight of 207.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4,5-dimethoxyaniline is sourced from PubChem (CID 86240177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).