N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine

C18H25NO — CID 62346695

IUPACN-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCCc1ccc(CNC(c2ccccc2)C(C)(C)C)o1
InChIInChI=1S/C18H25NO/c1-5-15-11-12-16(20-15)13-19-17(18(2,3)4)14-9-7-6-8-10-14/h6-12,17,19H,5,13H2,1-4H3
InChIKeyXSTMTDPWBGKEIJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.72
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine

N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 62346695) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
PubChem CID62346695
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCCc1ccc(CNC(c2ccccc2)C(C)(C)C)o1
InChIInChI=1S/C18H25NO/c1-5-15-11-12-16(20-15)13-19-17(18(2,3)4)14-9-7-6-8-10-14/h6-12,17,19H,5,13H2,1-4H3
InChIKeyXSTMTDPWBGKEIJ-UHFFFAOYSA-N
XLogP4.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
N-[(5-ethylfuran-2-yl)methyl]-1-phenylmethanamine
CID 62344690
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
[(5-ethylfuran-2-yl)-phenylmethyl]hydrazine
CID 105282976
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885665
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
CID 59084778
3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
CID 63842434
2-(5-ethylfuran-2-yl)-1-phenylethanamine
CID 62717971

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine (CID 62346695) is N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine is CCc1ccc(CNC(c2ccccc2)C(C)(C)C)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is XSTMTDPWBGKEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-15-11-12-16(20-15)13-19-17(18(2,3)4)14-9-7-6-8-10-14/h6-12,17,19H,5,13H2,1-4H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.72, 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]-2,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 62346695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).