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

C18H25NO — CID 83183089

IUPAC2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CC(CNC(C)C)Cc2ccoc2)cc1
InChIInChI=1S/C18H25NO/c1-14(2)19-12-18(11-17-8-9-20-13-17)10-16-6-4-15(3)5-7-16/h4-9,13-14,18-19H,10-12H2,1-3H3
InChIKeySHEMOTAGCMAHEJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.99
Rot. Bonds7

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

2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 83183089) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID83183089
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CC(CNC(C)C)Cc2ccoc2)cc1
InChIInChI=1S/C18H25NO/c1-14(2)19-12-18(11-17-8-9-20-13-17)10-16-6-4-15(3)5-7-16/h4-9,13-14,18-19H,10-12H2,1-3H3
InChIKeySHEMOTAGCMAHEJ-UHFFFAOYSA-N
XLogP3.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 83178421
3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64664568
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
CID 83183227
1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
CID 83171853
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine
CID 83178583
1-(furan-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065426
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
2-[(4-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323210

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 83183089) is 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1ccc(CC(CNC(C)C)Cc2ccoc2)cc1.
What is the InChIKey of 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is SHEMOTAGCMAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(2)19-12-18(11-17-8-9-20-13-17)10-16-6-4-15(3)5-7-16/h4-9,13-14,18-19H,10-12H2,1-3H3.
What are the key properties of 2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 3.99, 7 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-propan-2-ylpropan-1-amine is sourced from PubChem (CID 83183089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).