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

C18H23NO — CID 114602898

IUPACN-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccccc1C1CCC1
InChIInChI=1S/C18H23NO/c1-2-12-19-18(17-11-6-13-20-17)16-10-4-3-9-15(16)14-7-5-8-14/h3-4,6,9-11,13-14,18-19H,2,5,7-8,12H2,1H3
InChIKeyBTVNVUQVKMRVDV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.64
Rot. Bonds6

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

N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 114602898) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID114602898
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccccc1C1CCC1
InChIInChI=1S/C18H23NO/c1-2-12-19-18(17-11-6-13-20-17)16-10-4-3-9-15(16)14-7-5-8-14/h3-4,6,9-11,13-14,18-19H,2,5,7-8,12H2,1H3
InChIKeyBTVNVUQVKMRVDV-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-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114604169
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359
N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105052333
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine (CID 114602898) is N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)c1ccccc1C1CCC1.
What is the InChIKey of N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is BTVNVUQVKMRVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-12-19-18(17-11-6-13-20-17)16-10-4-3-9-15(16)14-7-5-8-14/h3-4,6,9-11,13-14,18-19H,2,5,7-8,12H2,1H3.
What are the key properties of N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(2-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-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114602898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).