(2-pent-3-ynoxyphenyl)methanamine

C12H15NO — CID 104804318

IUPAC(2-pent-3-ynoxyphenyl)methanamine
SMILESCC#CCCOc1ccccc1CN
InChIInChI=1S/C12H15NO/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8H,6,9-10,13H2,1H3
InChIKeyYVNNBAKDRWJMJR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.94
Rot. Bonds4

About (2-pent-3-ynoxyphenyl)methanamine

(2-pent-3-ynoxyphenyl)methanamine (PubChem CID 104804318) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2-pent-3-ynoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-pent-3-ynoxyphenyl)methanamine
PubChem CID104804318
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2-pent-3-ynoxyphenyl)methanamine
SMILESCC#CCCOc1ccccc1CN
InChIInChI=1S/C12H15NO/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8H,6,9-10,13H2,1H3
InChIKeyYVNNBAKDRWJMJR-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-pent-3-ynoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pent-3-ynoxynaphthalene
CID 54390918
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361112
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
CID 107700673
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
CID 104804559
1-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206
[2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 43530019
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470

Frequently Asked Questions

What is the IUPAC name of (2-pent-3-ynoxyphenyl)methanamine?
The IUPAC name of (2-pent-3-ynoxyphenyl)methanamine (CID 104804318) is (2-pent-3-ynoxyphenyl)methanamine.
What is the SMILES notation for (2-pent-3-ynoxyphenyl)methanamine?
The canonical SMILES for (2-pent-3-ynoxyphenyl)methanamine is CC#CCCOc1ccccc1CN.
What is the InChIKey of (2-pent-3-ynoxyphenyl)methanamine?
The InChIKey is YVNNBAKDRWJMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8H,6,9-10,13H2,1H3.
What are the key properties of (2-pent-3-ynoxyphenyl)methanamine?
(2-pent-3-ynoxyphenyl)methanamine has a molecular weight of 189.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pent-3-ynoxyphenyl)methanamine is sourced from PubChem (CID 104804318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).