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

C18H27NO — CID 116506194

IUPACN-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C2CCC2)cc1)C1CCCO1
InChIInChI=1S/C18H27NO/c1-2-12-19-18(17-7-4-13-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h8-11,14,17-19H,2-7,12-13H2,1H3
InChIKeyKWNUXSSSRRHIBH-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.17
Rot. Bonds6

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

N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 116506194) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
PubChem CID116506194
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C2CCC2)cc1)C1CCCO1
InChIInChI=1S/C18H27NO/c1-2-12-19-18(17-7-4-13-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h8-11,14,17-19H,2-7,12-13H2,1H3
InChIKeyKWNUXSSSRRHIBH-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
CID 43495861
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(4-cyclobutylphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 116506328
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine (CID 116506194) is N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C2CCC2)cc1)C1CCCO1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is KWNUXSSSRRHIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-12-19-18(17-7-4-13-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h8-11,14,17-19H,2-7,12-13H2,1H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116506194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).