N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine

C19H27NO — CID 63454886

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C19H27NO/c1-13-7-6-8-18(11-13)10-9-14(2)20-16(4)19-12-15(3)21-17(19)5/h6-8,11-12,14,16,20H,9-10H2,1-5H3
InChIKeyHDKICDCLJIKUDP-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.88
Rot. Bonds6

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine (PubChem CID 63454886) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
PubChem CID63454886
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C19H27NO/c1-13-7-6-8-18(11-13)10-9-14(2)20-16(4)19-12-15(3)21-17(19)5/h6-8,11-12,14,16,20H,9-10H2,1-5H3
InChIKeyHDKICDCLJIKUDP-UHFFFAOYSA-N
XLogP4.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43121413
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 61169749
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
CID 63476581
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 43504749
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine (CID 63454886) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NC(C)c2cc(C)oc2C)c1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The InChIKey is HDKICDCLJIKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-13-7-6-8-18(11-13)10-9-14(2)20-16(4)19-12-15(3)21-17(19)5/h6-8,11-12,14,16,20H,9-10H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63454886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).