N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline

C16H21NO — CID 62345235

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
SMILESCCc1ccc(CNc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C16H21NO/c1-4-15-9-10-16(18-15)11-17-14-7-5-13(6-8-14)12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyGQZLBBNYRGIVNX-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.58
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline

N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline (PubChem CID 62345235) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
PubChem CID62345235
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
SMILESCCc1ccc(CNc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C16H21NO/c1-4-15-9-10-16(18-15)11-17-14-7-5-13(6-8-14)12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyGQZLBBNYRGIVNX-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155533033
N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62347242
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 62346872
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62346309
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62346531
4-bromo-N-[(5-ethylfuran-2-yl)methyl]-3-iodoaniline
CID 114259462
5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
N-[(5-ethylfuran-2-yl)methyl]pyridin-3-amine
CID 62347373
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 62345471

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline (CID 62345235) is N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline is CCc1ccc(CNc2ccc(C(C)C)cc2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline?
The InChIKey is GQZLBBNYRGIVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-15-9-10-16(18-15)11-17-14-7-5-13(6-8-14)12(2)3/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline?
N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline has a molecular weight of 243.35 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 62345235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).