(3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium

C19H22NO2+ — CID 2200629

IUPAC(3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
SMILESC#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO2/c1-4-12-22-18-11-10-16(13-19(18)21-3)14-20-15(2)17-8-6-5-7-9-17/h1,5-11,13,15,20H,12,14H2,2-3H3/p+1/t15-/m0/s1
InChIKeyDYQLYNQHPYWWJV-HNNXBMFYSA-O
MW296.39 g/mol
LogP2.53
Rot. Bonds7

About (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium

(3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium (PubChem CID 2200629) has the molecular formula C19H22NO2+ and a molecular weight of 296.39 g/mol. Its IUPAC name is (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name(3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
PubChem CID2200629
Molecular FormulaC19H22NO2+
Molecular Weight296.39 g/mol
Exact Mass296.16
IUPAC Name(3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
SMILESC#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO2/c1-4-12-22-18-11-10-16(13-19(18)21-3)14-20-15(2)17-8-6-5-7-9-17/h1,5-11,13,15,20H,12,14H2,2-3H3/p+1/t15-/m0/s1
InChIKeyDYQLYNQHPYWWJV-HNNXBMFYSA-O
XLogP2.53
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium 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

[3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]azanium
CID 7479255
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-(1-phenylethyl)azanium chloride
CID 44665971
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene
CID 155770275
(3-chloro-4,5-dimethoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7311517
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86880194
2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 87258547
(5-bromo-2-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7311451
1-(3-methoxy-4-prop-2-ynoxyphenyl)butan-2-amine;hydrochloride
CID 170889669
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
[(2R)-1-hydroxybutan-2-yl]-[[4-[(2R)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl]azanium
CID 7379156
(2S)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-4-phenylbutanamide
CID 87258743

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium?
The IUPAC name of (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium (CID 2200629) is (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium is C#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC.
What is the InChIKey of (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium?
The InChIKey is DYQLYNQHPYWWJV-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H21NO2/c1-4-12-22-18-11-10-16(13-19(18)21-3)14-20-15(2)17-8-6-5-7-9-17/h1,5-11,13,15,20H,12,14H2,2-3H3/p+1/t15-/m0/s1.
What are the key properties of (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium?
(3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium has a molecular weight of 296.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 2200629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).