N-methyl-2-prop-2-ynoxyaniline

C10H11NO — CID 130693648

IUPACN-methyl-2-prop-2-ynoxyaniline
SMILESC#CCOc1ccccc1NC
InChIInChI=1S/C10H11NO/c1-3-8-12-10-7-5-4-6-9(10)11-2/h1,4-7,11H,8H2,2H3
InChIKeyOLVZHBCJKNVFAN-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.74
Rot. Bonds3

About N-methyl-2-prop-2-ynoxyaniline

N-methyl-2-prop-2-ynoxyaniline (PubChem CID 130693648) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-methyl-2-prop-2-ynoxyaniline.

Molecular Properties

Compound NameN-methyl-2-prop-2-ynoxyaniline
PubChem CID130693648
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-methyl-2-prop-2-ynoxyaniline
SMILESC#CCOc1ccccc1NC
InChIInChI=1S/C10H11NO/c1-3-8-12-10-7-5-4-6-9(10)11-2/h1,4-7,11H,8H2,2H3
InChIKeyOLVZHBCJKNVFAN-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethoxy)-N-methylaniline
CID 68963769
1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
CID 11089987
ethane;2-[2-(methylamino)phenoxy]acetaldehyde
CID 142381629
ethyl 3-(2-prop-2-ynoxyanilino)but-2-enoate
CID 173455494
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
2,3-bis(prop-2-ynoxy)phenol
CID 139940757
2-prop-2-ynoxybenzonitrile
CID 11040948
2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
CID 109416531
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
2-methyl-3-[methyl-[(2-prop-2-ynoxyphenyl)carbamoyl]amino]propanoic acid
CID 122090530
9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene
CID 170050137

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-prop-2-ynoxyaniline?
The IUPAC name of N-methyl-2-prop-2-ynoxyaniline (CID 130693648) is N-methyl-2-prop-2-ynoxyaniline.
What is the SMILES notation for N-methyl-2-prop-2-ynoxyaniline?
The canonical SMILES for N-methyl-2-prop-2-ynoxyaniline is C#CCOc1ccccc1NC.
What is the InChIKey of N-methyl-2-prop-2-ynoxyaniline?
The InChIKey is OLVZHBCJKNVFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-8-12-10-7-5-4-6-9(10)11-2/h1,4-7,11H,8H2,2H3.
What are the key properties of N-methyl-2-prop-2-ynoxyaniline?
N-methyl-2-prop-2-ynoxyaniline has a molecular weight of 161.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-2-ynoxyaniline is sourced from PubChem (CID 130693648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).