N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline

C16H21NO3 — CID 43478801

IUPACN-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)CCc2ccco2)c1
InChIInChI=1S/C16H21NO3/c1-12(6-7-13-5-4-10-20-13)17-15-11-14(18-2)8-9-16(15)19-3/h4-5,8-12,17H,6-7H2,1-3H3
InChIKeyAGJPQZQNQVLDAY-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.73
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline

N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline (PubChem CID 43478801) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
PubChem CID43478801
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)CCc2ccco2)c1
InChIInChI=1S/C16H21NO3/c1-12(6-7-13-5-4-10-20-13)17-15-11-14(18-2)8-9-16(15)19-3/h4-5,8-12,17H,6-7H2,1-3H3
InChIKeyAGJPQZQNQVLDAY-UHFFFAOYSA-N
XLogP3.73
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
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
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
CID 60935377
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]butan-2-amine
CID 103777711
4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107609511
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 78761678

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline (CID 43478801) is N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NC(C)CCc2ccco2)c1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline?
The InChIKey is AGJPQZQNQVLDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(6-7-13-5-4-10-20-13)17-15-11-14(18-2)8-9-16(15)19-3/h4-5,8-12,17H,6-7H2,1-3H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline?
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline has a molecular weight of 275.35 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline is sourced from PubChem (CID 43478801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).