3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine

C19H26N2O — CID 83962730

IUPAC3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
SMILESc1coc(CCCNCc2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C19H26N2O/c1-2-13-21(12-1)16-18-9-7-17(8-10-18)15-20-11-3-5-19-6-4-14-22-19/h4,6-10,14,20H,1-3,5,11-13,15-16H2
InChIKeyCNGRZEZVRCMECL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.60
Rot. Bonds8

About 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine

3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine (PubChem CID 83962730) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
PubChem CID83962730
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
SMILESc1coc(CCCNCc2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C19H26N2O/c1-2-13-21(12-1)16-18-9-7-17(8-10-18)15-20-11-3-5-19-6-4-14-22-19/h4,6-10,14,20H,1-3,5,11-13,15-16H2
InChIKeyCNGRZEZVRCMECL-UHFFFAOYSA-N
XLogP3.60
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962809
3-(furan-2-yl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722071
3-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962726
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine
CID 113408576
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
CID 119163966
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine (CID 83962730) is 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine is c1coc(CCCNCc2ccc(CN3CCCC3)cc2)c1.
What is the InChIKey of 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The InChIKey is CNGRZEZVRCMECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-13-21(12-1)16-18-9-7-17(8-10-18)15-20-11-3-5-19-6-4-14-22-19/h4,6-10,14,20H,1-3,5,11-13,15-16H2.
What are the key properties of 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine has a molecular weight of 298.43 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 83962730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).