2-methoxy-3-prop-2-ynylaniline

C10H11NO — CID 167114087

IUPAC2-methoxy-3-prop-2-ynylaniline
SMILESC#CCc1cccc(N)c1OC
InChIInChI=1S/C10H11NO/c1-3-5-8-6-4-7-9(11)10(8)12-2/h1,4,6-7H,5,11H2,2H3
InChIKeyPMKMGQXJJICVEF-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.45
Rot. Bonds2

About 2-methoxy-3-prop-2-ynylaniline

2-methoxy-3-prop-2-ynylaniline (PubChem CID 167114087) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methoxy-3-prop-2-ynylaniline.

Molecular Properties

Compound Name2-methoxy-3-prop-2-ynylaniline
PubChem CID167114087
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-methoxy-3-prop-2-ynylaniline
SMILESC#CCc1cccc(N)c1OC
InChIInChI=1S/C10H11NO/c1-3-5-8-6-4-7-9(11)10(8)12-2/h1,4,6-7H,5,11H2,2H3
InChIKeyPMKMGQXJJICVEF-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride
CID 166541260
tert-butyl N-[(3-amino-2-methoxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22981263
3-(benzenesulfonyl)-2-methoxyaniline
CID 59675219
2-methyl-3-prop-2-ynylphenol
CID 141003345
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
(3S)-3-amino-3-(3-amino-2-methoxyphenyl)propanenitrile
CID 130616932
2-iodooxy-3-prop-2-ynylbenzoic acid
CID 174320150

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-prop-2-ynylaniline?
The IUPAC name of 2-methoxy-3-prop-2-ynylaniline (CID 167114087) is 2-methoxy-3-prop-2-ynylaniline.
What is the SMILES notation for 2-methoxy-3-prop-2-ynylaniline?
The canonical SMILES for 2-methoxy-3-prop-2-ynylaniline is C#CCc1cccc(N)c1OC.
What is the InChIKey of 2-methoxy-3-prop-2-ynylaniline?
The InChIKey is PMKMGQXJJICVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-5-8-6-4-7-9(11)10(8)12-2/h1,4,6-7H,5,11H2,2H3.
What are the key properties of 2-methoxy-3-prop-2-ynylaniline?
2-methoxy-3-prop-2-ynylaniline has a molecular weight of 161.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-prop-2-ynylaniline is sourced from PubChem (CID 167114087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).