2-(cyclopropylmethoxymethoxy)-4-methylaniline

C12H17NO2 — CID 106928951

IUPAC2-(cyclopropylmethoxymethoxy)-4-methylaniline
SMILESCc1ccc(N)c(OCOCC2CC2)c1
InChIInChI=1S/C12H17NO2/c1-9-2-5-11(13)12(6-9)15-8-14-7-10-3-4-10/h2,5-6,10H,3-4,7-8,13H2,1H3
InChIKeyOJLDATKRZGZFBU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.34
Rot. Bonds5

About 2-(cyclopropylmethoxymethoxy)-4-methylaniline

2-(cyclopropylmethoxymethoxy)-4-methylaniline (PubChem CID 106928951) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethoxy)-4-methylaniline.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethoxy)-4-methylaniline
PubChem CID106928951
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(cyclopropylmethoxymethoxy)-4-methylaniline
SMILESCc1ccc(N)c(OCOCC2CC2)c1
InChIInChI=1S/C12H17NO2/c1-9-2-5-11(13)12(6-9)15-8-14-7-10-3-4-10/h2,5-6,10H,3-4,7-8,13H2,1H3
InChIKeyOJLDATKRZGZFBU-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine
CID 106929334
2-(ethoxymethoxy)-4-methylaniline
CID 65365090
2-(chloromethyl)-1-(cyclopropylmethoxymethoxy)-4-methylbenzene
CID 106929904
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
CID 106929817
[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 106929979
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
CID 106929188
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
2-(fluoromethoxy)-4-methylaniline
CID 123529275
3-amino-4-(cyclopropylmethoxymethoxy)benzoic acid
CID 106930001
4-methyl-2-propoxyaniline
CID 24698653
1-[3-chloro-4-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929435

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethoxy)-4-methylaniline?
The IUPAC name of 2-(cyclopropylmethoxymethoxy)-4-methylaniline (CID 106928951) is 2-(cyclopropylmethoxymethoxy)-4-methylaniline.
What is the SMILES notation for 2-(cyclopropylmethoxymethoxy)-4-methylaniline?
The canonical SMILES for 2-(cyclopropylmethoxymethoxy)-4-methylaniline is Cc1ccc(N)c(OCOCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxymethoxy)-4-methylaniline?
The InChIKey is OJLDATKRZGZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-2-5-11(13)12(6-9)15-8-14-7-10-3-4-10/h2,5-6,10H,3-4,7-8,13H2,1H3.
What are the key properties of 2-(cyclopropylmethoxymethoxy)-4-methylaniline?
2-(cyclopropylmethoxymethoxy)-4-methylaniline has a molecular weight of 207.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethoxy)-4-methylaniline is sourced from PubChem (CID 106928951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).