3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine

C20H27NO2 — CID 17055087

IUPAC3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCOCCCNCc1cccc(OCc2ccc(C)cc2)c1
InChIInChI=1S/C20H27NO2/c1-3-22-13-5-12-21-15-19-6-4-7-20(14-19)23-16-18-10-8-17(2)9-11-18/h4,6-11,14,21H,3,5,12-13,15-16H2,1-2H3
InChIKeyJXYOLEITIFGYGD-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.09
Rot. Bonds10

About 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine

3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 17055087) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID17055087
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCOCCCNCc1cccc(OCc2ccc(C)cc2)c1
InChIInChI=1S/C20H27NO2/c1-3-22-13-5-12-21-15-19-6-4-7-20(14-19)23-16-18-10-8-17(2)9-11-18/h4,6-11,14,21H,3,5,12-13,15-16H2,1-2H3
InChIKeyJXYOLEITIFGYGD-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.09
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

3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 4716403
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208880
3-imidazol-1-yl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156523
2-(3,4-dimethoxyphenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055084
N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine (CID 17055087) is 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine is CCOCCCNCc1cccc(OCc2ccc(C)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is JXYOLEITIFGYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-22-13-5-12-21-15-19-6-4-7-20(14-19)23-16-18-10-8-17(2)9-11-18/h4,6-11,14,21H,3,5,12-13,15-16H2,1-2H3.
What are the key properties of 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine?
3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 17055087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).