3-(cyclopropylmethoxy)-4,5-dimethoxyaniline

C12H17NO3 — CID 89149885

IUPAC3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)cc(OCC2CC2)c1OC
InChIInChI=1S/C12H17NO3/c1-14-10-5-9(13)6-11(12(10)15-2)16-7-8-3-4-8/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyDINVHRBAWHVOMX-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.07
Rot. Bonds5

About 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline

3-(cyclopropylmethoxy)-4,5-dimethoxyaniline (PubChem CID 89149885) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
PubChem CID89149885
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)cc(OCC2CC2)c1OC
InChIInChI=1S/C12H17NO3/c1-14-10-5-9(13)6-11(12(10)15-2)16-7-8-3-4-8/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyDINVHRBAWHVOMX-UHFFFAOYSA-N
XLogP2.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599683
[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]methanamine
CID 117460838
3-cyclopropyl-4,5-dimethoxyaniline
CID 89107680
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
2-[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]ethanamine
CID 117483419
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
CID 57021873
3-bromo-5-(cyclopropylmethoxy)-4-methoxybenzonitrile
CID 117453044
4-(cyclopropylmethoxy)-3-methoxy-2-methylpyridine
CID 10535781
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
4-[(3,3-difluorocyclopentyl)methoxy]-3-methoxyaniline
CID 114223611

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline?
The IUPAC name of 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline (CID 89149885) is 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline.
What is the SMILES notation for 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline?
The canonical SMILES for 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline is COc1cc(N)cc(OCC2CC2)c1OC.
What is the InChIKey of 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline?
The InChIKey is DINVHRBAWHVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-10-5-9(13)6-11(12(10)15-2)16-7-8-3-4-8/h5-6,8H,3-4,7,13H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline?
3-(cyclopropylmethoxy)-4,5-dimethoxyaniline has a molecular weight of 223.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-4,5-dimethoxyaniline is sourced from PubChem (CID 89149885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).