N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine

C13H17NO — CID 28610201

IUPACN-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
SMILESC#CCOc1ccccc1CNC(C)C
InChIInChI=1S/C13H17NO/c1-4-9-15-13-8-6-5-7-12(13)10-14-11(2)3/h1,5-8,11,14H,9-10H2,2-3H3
InChIKeyJORDVCMQOABJHW-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.20
Rot. Bonds5

About N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine

N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine (PubChem CID 28610201) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
PubChem CID28610201
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
SMILESC#CCOc1ccccc1CNC(C)C
InChIInChI=1S/C13H17NO/c1-4-9-15-13-8-6-5-7-12(13)10-14-11(2)3/h1,5-8,11,14H,9-10H2,2-3H3
InChIKeyJORDVCMQOABJHW-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine 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

(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
1-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 113472717
(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648846
3-[(2-prop-2-ynoxyphenyl)methylamino]butanamide
CID 113250252
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
N-[(2-prop-2-ynoxyphenyl)methyl]octan-2-amine
CID 43220796
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
CID 43221810
2-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 113320318
methyl 4-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]pentanoate
CID 43688899
2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 43078385

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine (CID 28610201) is N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine is C#CCOc1ccccc1CNC(C)C.
What is the InChIKey of N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine?
The InChIKey is JORDVCMQOABJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-9-15-13-8-6-5-7-12(13)10-14-11(2)3/h1,5-8,11,14H,9-10H2,2-3H3.
What are the key properties of N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine?
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine has a molecular weight of 203.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 28610201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).