3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine

C19H25NO2 — CID 13338480

IUPAC3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-16(2)20-13-6-14-21-18-9-11-19(12-10-18)22-15-17-7-4-3-5-8-17/h3-5,7-12,16,20H,6,13-15H2,1-2H3
InChIKeyWBEGVEWHIGIEGY-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.03
Rot. Bonds9

About 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine

3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 13338480) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
PubChem CID13338480
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-16(2)20-13-6-14-21-18-9-11-19(12-10-18)22-15-17-7-4-3-5-8-17/h3-5,7-12,16,20H,6,13-15H2,1-2H3
InChIKeyWBEGVEWHIGIEGY-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
2-[4-(4-phenylmethoxyphenoxy)butyl]-1-propan-2-ylguanidine
CID 111044090
1-phenylmethoxy-4-propoxybenzene
CID 10728874
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 67578950
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine (CID 13338480) is 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine is CC(C)NCCCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is WBEGVEWHIGIEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-16(2)20-13-6-14-21-18-9-11-19(12-10-18)22-15-17-7-4-3-5-8-17/h3-5,7-12,16,20H,6,13-15H2,1-2H3.
What are the key properties of 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine?
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 13338480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).