4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline

C21H22N2O — CID 138980750

IUPAC4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
SMILESCOc1ccc(NCC[C@H](c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H22N2O/c1-24-19-12-10-18(11-13-19)22-16-14-20(17-7-3-2-4-8-17)21-9-5-6-15-23-21/h2-13,15,20,22H,14,16H2,1H3/t20-/m1/s1
InChIKeyVAOSMEJMHJQMFV-HXUWFJFHSA-N
MW318.42 g/mol
LogP4.72
Rot. Bonds7

About 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline

4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline (PubChem CID 138980750) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
PubChem CID138980750
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
SMILESCOc1ccc(NCC[C@H](c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H22N2O/c1-24-19-12-10-18(11-13-19)22-16-14-20(17-7-3-2-4-8-17)21-9-5-6-15-23-21/h2-13,15,20,22H,14,16H2,1H3/t20-/m1/s1
InChIKeyVAOSMEJMHJQMFV-HXUWFJFHSA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline 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

N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine
CID 54373068
4-methoxy-N-(3-phenylbutyl)aniline
CID 15317290
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
N-(4-methoxyphenyl)-2-phenyl-2-pyridin-2-ylacetamide
CID 110373398
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138
methyl N'-[3-(4-methoxyphenyl)-3-pyridin-2-ylpropyl]carbamimidothioate
CID 14126571
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
2-ethyl-N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]butanamide
CID 16928268
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
cumene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 159792908

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline?
The IUPAC name of 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline (CID 138980750) is 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline?
The canonical SMILES for 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline is COc1ccc(NCC[C@H](c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline?
The InChIKey is VAOSMEJMHJQMFV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O/c1-24-19-12-10-18(11-13-19)22-16-14-20(17-7-3-2-4-8-17)21-9-5-6-15-23-21/h2-13,15,20,22H,14,16H2,1H3/t20-/m1/s1.
What are the key properties of 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline?
4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline has a molecular weight of 318.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline is sourced from PubChem (CID 138980750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).