N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine

C16H27NO3 — CID 12516811

IUPACN-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine
SMILESCCOC(CNC(C)Cc1cccc(OC)c1)OCC
InChIInChI=1S/C16H27NO3/c1-5-19-16(20-6-2)12-17-13(3)10-14-8-7-9-15(11-14)18-4/h7-9,11,13,16-17H,5-6,10,12H2,1-4H3
InChIKeySIAAZBMUIURNEL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.61
Rot. Bonds10

About N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine

N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine (PubChem CID 12516811) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine
PubChem CID12516811
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine
SMILESCCOC(CNC(C)Cc1cccc(OC)c1)OCC
InChIInChI=1S/C16H27NO3/c1-5-19-16(20-6-2)12-17-13(3)10-14-8-7-9-15(11-14)18-4/h7-9,11,13,16-17H,5-6,10,12H2,1-4H3
InChIKeySIAAZBMUIURNEL-UHFFFAOYSA-N
XLogP2.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
CID 64541774
1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
3,3-diethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107852059
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121
4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
CID 156894830
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine (CID 12516811) is N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine is CCOC(CNC(C)Cc1cccc(OC)c1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine?
The InChIKey is SIAAZBMUIURNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-19-16(20-6-2)12-17-13(3)10-14-8-7-9-15(11-14)18-4/h7-9,11,13,16-17H,5-6,10,12H2,1-4H3.
What are the key properties of N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine?
N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 12516811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).