N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine

C18H29NO4 — CID 125466683

IUPACN-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
SMILESCCOC(CN[C@@H](c1ccc(OC)c(OC)c1)C1CC1)OCC
InChIInChI=1S/C18H29NO4/c1-5-22-17(23-6-2)12-19-18(13-7-8-13)14-9-10-15(20-3)16(11-14)21-4/h9-11,13,17-19H,5-8,12H2,1-4H3/t18-/m1/s1
InChIKeyIPLXBMSGWPXOQW-GOSISDBHSA-N
MW323.43 g/mol
LogP3.14
Rot. Bonds11

About N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine

N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine (PubChem CID 125466683) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
PubChem CID125466683
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC NameN-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
SMILESCCOC(CN[C@@H](c1ccc(OC)c(OC)c1)C1CC1)OCC
InChIInChI=1S/C18H29NO4/c1-5-22-17(23-6-2)12-19-18(13-7-8-13)14-9-10-15(20-3)16(11-14)21-4/h9-11,13,17-19H,5-8,12H2,1-4H3/t18-/m1/s1
InChIKeyIPLXBMSGWPXOQW-GOSISDBHSA-N
XLogP3.14
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83075998
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65413801
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine?
The IUPAC name of N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine (CID 125466683) is N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine.
What is the SMILES notation for N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine?
The canonical SMILES for N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine is CCOC(CN[C@@H](c1ccc(OC)c(OC)c1)C1CC1)OCC.
What is the InChIKey of N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine?
The InChIKey is IPLXBMSGWPXOQW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-22-17(23-6-2)12-19-18(13-7-8-13)14-9-10-15(20-3)16(11-14)21-4/h9-11,13,17-19H,5-8,12H2,1-4H3/t18-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine?
N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine has a molecular weight of 323.43 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine is sourced from PubChem (CID 125466683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).