2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine

C19H27NO — CID 83178421

IUPAC2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine
SMILESCc1ccc(CC(CNCC(C)C)Cc2ccoc2)cc1
InChIInChI=1S/C19H27NO/c1-15(2)12-20-13-19(11-18-8-9-21-14-18)10-17-6-4-16(3)5-7-17/h4-9,14-15,19-20H,10-13H2,1-3H3
InChIKeyAHSVTXHEFHUEPV-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.24
Rot. Bonds8

About 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine

2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine (PubChem CID 83178421) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine
PubChem CID83178421
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine
SMILESCc1ccc(CC(CNCC(C)C)Cc2ccoc2)cc1
InChIInChI=1S/C19H27NO/c1-15(2)12-20-13-19(11-18-8-9-21-14-18)10-17-6-4-16(3)5-7-17/h4-9,14-15,19-20H,10-13H2,1-3H3
InChIKeyAHSVTXHEFHUEPV-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83183089
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
CID 83183227
1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
CID 83171853
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64664568
2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine
CID 83178583
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 63496197
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
2-benzyl-N-(2-methylpropyl)-3-trimethylsilylpropan-1-amine
CID 106323109

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine (CID 83178421) is 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine is Cc1ccc(CC(CNCC(C)C)Cc2ccoc2)cc1.
What is the InChIKey of 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is AHSVTXHEFHUEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-15(2)12-20-13-19(11-18-8-9-21-14-18)10-17-6-4-16(3)5-7-17/h4-9,14-15,19-20H,10-13H2,1-3H3.
What are the key properties of 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine?
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 83178421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).