N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline

C16H21NO2 — CID 63098725

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
SMILESCC(Cc1ccco1)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H21NO2/c1-12(2)19-15-8-6-14(7-9-15)17-13(3)11-16-5-4-10-18-16/h4-10,12-13,17H,11H2,1-3H3
InChIKeyDCWWMLJMQMUJOX-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.11
Rot. Bonds6

About N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline

N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline (PubChem CID 63098725) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
PubChem CID63098725
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
SMILESCC(Cc1ccco1)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H21NO2/c1-12(2)19-15-8-6-14(7-9-15)17-13(3)11-16-5-4-10-18-16/h4-10,12-13,17H,11H2,1-3H3
InChIKeyDCWWMLJMQMUJOX-UHFFFAOYSA-N
XLogP4.11
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63084467
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxypyrimidin-2-amine
CID 112636994
2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide
CID 63085829
N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
CID 114828418
4-cyclopentylsulfanyl-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63445560
N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63084928

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline (CID 63098725) is N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline is CC(Cc1ccco1)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline?
The InChIKey is DCWWMLJMQMUJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)19-15-8-6-14(7-9-15)17-13(3)11-16-5-4-10-18-16/h4-10,12-13,17H,11H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline?
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline has a molecular weight of 259.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 63098725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).