N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline

C16H22N2O — CID 106886715

IUPACN,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
SMILESCC(C)NCc1occc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-12(2)17-11-16-15(9-10-19-16)13-5-7-14(8-6-13)18(3)4/h5-10,12,17H,11H2,1-4H3
InChIKeyHBZOWACUXLPJEZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.51
Rot. Bonds5

About N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline

N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline (PubChem CID 106886715) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
PubChem CID106886715
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
SMILESCC(C)NCc1occc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-12(2)17-11-16-15(9-10-19-16)13-5-7-14(8-6-13)18(3)4/h5-10,12,17H,11H2,1-4H3
InChIKeyHBZOWACUXLPJEZ-UHFFFAOYSA-N
XLogP3.51
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline (CID 106886715) is N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline is CC(C)NCc1occc1-c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline?
The InChIKey is HBZOWACUXLPJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)17-11-16-15(9-10-19-16)13-5-7-14(8-6-13)18(3)4/h5-10,12,17H,11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline?
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline has a molecular weight of 258.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline is sourced from PubChem (CID 106886715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).