N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine

C17H23NO — CID 60780727

IUPACN-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H23NO/c1-4-13(2)14(3)18-17(16-11-8-12-19-16)15-9-6-5-7-10-15/h5-14,17-18H,4H2,1-3H3
InChIKeyOCEGMNUXFKFJJZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.39
Rot. Bonds6

About N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine

N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine (PubChem CID 60780727) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
PubChem CID60780727
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H23NO/c1-4-13(2)14(3)18-17(16-11-8-12-19-16)15-9-6-5-7-10-15/h5-14,17-18H,4H2,1-3H3
InChIKeyOCEGMNUXFKFJJZ-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
CID 104531232
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
1-(furan-2-yl)-3-methyl-2-phenylpentan-1-ol
CID 115797403
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477090
3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
CID 104531149
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
CID 106226699
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine (CID 60780727) is N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine is CCC(C)C(C)NC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine?
The InChIKey is OCEGMNUXFKFJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-13(2)14(3)18-17(16-11-8-12-19-16)15-9-6-5-7-10-15/h5-14,17-18H,4H2,1-3H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine?
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine is sourced from PubChem (CID 60780727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).