2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine

C20H29NO — CID 132554306

IUPAC2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine
SMILESCCCCc1oc(-c2ccccc2)cc1N(C(C)C)C(C)C
InChIInChI=1S/C20H29NO/c1-6-7-13-19-18(21(15(2)3)16(4)5)14-20(22-19)17-11-9-8-10-12-17/h8-12,14-16H,6-7,13H2,1-5H3
InChIKeyFGDOPIIKEIQKMT-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.91
Rot. Bonds7

About 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine

2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine (PubChem CID 132554306) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine.

Molecular Properties

Compound Name2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine
PubChem CID132554306
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine
SMILESCCCCc1oc(-c2ccccc2)cc1N(C(C)C)C(C)C
InChIInChI=1S/C20H29NO/c1-6-7-13-19-18(21(15(2)3)16(4)5)14-20(22-19)17-11-9-8-10-12-17/h8-12,14-16H,6-7,13H2,1-5H3
InChIKeyFGDOPIIKEIQKMT-UHFFFAOYSA-N
XLogP5.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-pentyl-5-phenylfuran
CID 10823258
trimethyl-(5-phenyl-2-propylfuran-3-yl)silane
CID 13213321
5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593
N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650691
3-[2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propanoic acid
CID 68833126
13,15-dibutyl-11,14,17-trioxatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12,15-heptaene
CID 12061879
3-hexyl-5-(4-methylphenyl)-2-phenylfuran
CID 102103698
(2-methyl-5-phenylfuran-3-yl) propanoate
CID 102515590
4-[5-phenyl-3-(2-phenylethynyl)furan-2-yl]butanenitrile
CID 51349907
3-methyl-5-pentyl-2-phenylfuran
CID 10846976
N,N-di(propan-2-yl)aniline;ethanamine
CID 175553373
2-[1-(3,5-diphenylfuran-2-yl)propyl]-3,5-diphenylfuran
CID 102516558

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine?
The IUPAC name of 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine (CID 132554306) is 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine.
What is the SMILES notation for 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine?
The canonical SMILES for 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine is CCCCc1oc(-c2ccccc2)cc1N(C(C)C)C(C)C.
What is the InChIKey of 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine?
The InChIKey is FGDOPIIKEIQKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-6-7-13-19-18(21(15(2)3)16(4)5)14-20(22-19)17-11-9-8-10-12-17/h8-12,14-16H,6-7,13H2,1-5H3.
What are the key properties of 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine?
2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine has a molecular weight of 299.46 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine is sourced from PubChem (CID 132554306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).