2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine

C20H27NO — CID 56995593

IUPAC2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-20(2,3)21-15-7-10-17-11-13-19(14-12-17)22-16-18-8-5-4-6-9-18/h4-6,8-9,11-14,21H,7,10,15-16H2,1-3H3
InChIKeyVPURIDUGHIMXJN-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.59
Rot. Bonds7

About 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine

2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine (PubChem CID 56995593) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
PubChem CID56995593
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-20(2,3)21-15-7-10-17-11-13-19(14-12-17)22-16-18-8-5-4-6-9-18/h4-6,8-9,11-14,21H,7,10,15-16H2,1-3H3
InChIKeyVPURIDUGHIMXJN-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]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

1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine
CID 110612296
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine
CID 22640922
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
CID 110421761
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine (CID 56995593) is 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine is CC(C)(C)NCCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine?
The InChIKey is VPURIDUGHIMXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-20(2,3)21-15-7-10-17-11-13-19(14-12-17)22-16-18-8-5-4-6-9-18/h4-6,8-9,11-14,21H,7,10,15-16H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine?
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine is sourced from PubChem (CID 56995593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).