N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline

C15H19NO3 — CID 63099420

IUPACN-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NC(C)Cc2ccco2)cc1OC
InChIInChI=1S/C15H19NO3/c1-11(9-13-5-4-8-19-13)16-12-6-7-14(17-2)15(10-12)18-3/h4-8,10-11,16H,9H2,1-3H3
InChIKeyIFONRRFRXKKGOL-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.34
Rot. Bonds6

About N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline

N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline (PubChem CID 63099420) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
PubChem CID63099420
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NC(C)Cc2ccco2)cc1OC
InChIInChI=1S/C15H19NO3/c1-11(9-13-5-4-8-19-13)16-12-6-7-14(17-2)15(10-12)18-3/h4-8,10-11,16H,9H2,1-3H3
InChIKeyIFONRRFRXKKGOL-UHFFFAOYSA-N
XLogP3.34
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63084467
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
CID 63086324
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63085843
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
CID 115917084
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline (CID 63099420) is N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline is COc1ccc(NC(C)Cc2ccco2)cc1OC.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline?
The InChIKey is IFONRRFRXKKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(9-13-5-4-8-19-13)16-12-6-7-14(17-2)15(10-12)18-3/h4-8,10-11,16H,9H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline?
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline has a molecular weight of 261.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline is sourced from PubChem (CID 63099420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).