N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline

C17H23NO2 — CID 86910738

IUPACN-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCc1ccc(N(CCOC(C)C)Cc2ccco2)cc1
InChIInChI=1S/C17H23NO2/c1-14(2)19-12-10-18(13-17-5-4-11-20-17)16-8-6-15(3)7-9-16/h4-9,11,14H,10,12-13H2,1-3H3
InChIKeyHLSACOHVOMWOQQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.02
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline

N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 86910738) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline
PubChem CID86910738
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCc1ccc(N(CCOC(C)C)Cc2ccco2)cc1
InChIInChI=1S/C17H23NO2/c1-14(2)19-12-10-18(13-17-5-4-11-20-17)16-8-6-15(3)7-9-16/h4-9,11,14H,10,12-13H2,1-3H3
InChIKeyHLSACOHVOMWOQQ-UHFFFAOYSA-N
XLogP4.02
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 55089694
N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417
N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 28771280
2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86888245
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617370
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline
CID 3797697
N-benzyl-N-(furan-2-ylmethyl)-6-propan-2-yloxypyridin-3-amine
CID 42691174
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline (CID 86910738) is N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline is Cc1ccc(N(CCOC(C)C)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is HLSACOHVOMWOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14(2)19-12-10-18(13-17-5-4-11-20-17)16-8-6-15(3)7-9-16/h4-9,11,14H,10,12-13H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline?
N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 273.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 86910738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).