N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline

C19H27NO — CID 63434581

IUPACN-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
SMILESCCC(Nc1ccc(C(C)C)cc1C(C)C)c1ccco1
InChIInChI=1S/C19H27NO/c1-6-17(19-8-7-11-21-19)20-18-10-9-15(13(2)3)12-16(18)14(4)5/h7-14,17,20H,6H2,1-5H3
InChIKeyWOZICCGFFHDCRA-UHFFFAOYSA-N
MW285.43 g/mol
LogP6.09
Rot. Bonds6

About N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline

N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline (PubChem CID 63434581) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
PubChem CID63434581
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
SMILESCCC(Nc1ccc(C(C)C)cc1C(C)C)c1ccco1
InChIInChI=1S/C19H27NO/c1-6-17(19-8-7-11-21-19)20-18-10-9-15(13(2)3)12-16(18)14(4)5/h7-14,17,20H,6H2,1-5H3
InChIKeyWOZICCGFFHDCRA-UHFFFAOYSA-N
XLogP6.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentan-3-yl-2,4-di(propan-2-yl)aniline
CID 43693580
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
4-bromo-N-[1-(furan-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 63450598
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
2-fluoro-N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62631841
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949
2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62631645
2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
CID 62631784
N-[1-(furan-2-yl)propyl]-2-(methoxymethyl)aniline
CID 62631803

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline?
The IUPAC name of N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline (CID 63434581) is N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline?
The canonical SMILES for N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline is CCC(Nc1ccc(C(C)C)cc1C(C)C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline?
The InChIKey is WOZICCGFFHDCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-17(19-8-7-11-21-19)20-18-10-9-15(13(2)3)12-16(18)14(4)5/h7-14,17,20H,6H2,1-5H3.
What are the key properties of N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline?
N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline has a molecular weight of 285.43 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline is sourced from PubChem (CID 63434581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).