N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine

C18H23NO — CID 116506072

IUPACN-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C2CCC2)cc1)c1ccco1
InChIInChI=1S/C18H23NO/c1-2-12-19-18(17-7-4-13-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-11,13-14,18-19H,2-3,5-6,12H2,1H3
InChIKeyYCIKFFKUDLBTLV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.64
Rot. Bonds6

About N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine

N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 116506072) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID116506072
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C2CCC2)cc1)c1ccco1
InChIInChI=1S/C18H23NO/c1-2-12-19-18(17-7-4-13-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-11,13-14,18-19H,2-3,5-6,12H2,1H3
InChIKeyYCIKFFKUDLBTLV-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105185341
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836
N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 116506348
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116506114
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116506010
[1-(4-cyclobutylphenyl)-2-methylpentyl]hydrazine
CID 105338181
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine (CID 116506072) is N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C2CCC2)cc1)c1ccco1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is YCIKFFKUDLBTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-12-19-18(17-7-4-13-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-11,13-14,18-19H,2-3,5-6,12H2,1H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116506072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).