N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine

C14H19NO2 — CID 60882435

IUPACN-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
SMILESC#CCOc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C14H19NO2/c1-5-8-17-13-7-6-12(9-14(13)16-4)10-15-11(2)3/h1,6-7,9,11,15H,8,10H2,2-4H3
InChIKeyIKRHWYNJLRWEJS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds6

About N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine

N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine (PubChem CID 60882435) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
PubChem CID60882435
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
SMILESC#CCOc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C14H19NO2/c1-5-8-17-13-7-6-12(9-14(13)16-4)10-15-11(2)3/h1,6-7,9,11,15H,8,10H2,2-4H3
InChIKeyIKRHWYNJLRWEJS-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methoxy-4-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

2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 60882437
1-(1-adamantyl)-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]ethanamine
CID 19615238
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[(3,4-dimethoxyphenyl)methyl]pent-4-yn-2-amine
CID 115660255
2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene
CID 155770275
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
(3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 2200629
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine (CID 60882435) is N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine is C#CCOc1ccc(CNC(C)C)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine?
The InChIKey is IKRHWYNJLRWEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-8-17-13-7-6-12(9-14(13)16-4)10-15-11(2)3/h1,6-7,9,11,15H,8,10H2,2-4H3.
What are the key properties of N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine?
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 60882435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).