N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine

C19H26N2O — CID 119163966

IUPACN-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
SMILESCc1ccc(CNCc2ccc(CN3CCCCC3)cc2)o1
InChIInChI=1S/C19H26N2O/c1-16-5-10-19(22-16)14-20-13-17-6-8-18(9-7-17)15-21-11-3-2-4-12-21/h5-10,20H,2-4,11-15H2,1H3
InChIKeyMYFRGHNQGYJSPJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.86
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine

N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine (PubChem CID 119163966) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
PubChem CID119163966
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
SMILESCc1ccc(CNCc2ccc(CN3CCCCC3)cc2)o1
InChIInChI=1S/C19H26N2O/c1-16-5-10-19(22-16)14-20-13-17-6-8-18(9-7-17)15-21-11-3-2-4-12-21/h5-10,20H,2-4,11-15H2,1H3
InChIKeyMYFRGHNQGYJSPJ-UHFFFAOYSA-N
XLogP3.86
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
CID 83007735
1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45216875
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686
1-[(4-methylphenyl)methyl]azepane
CID 3951815
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine (CID 119163966) is N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine is Cc1ccc(CNCc2ccc(CN3CCCCC3)cc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is MYFRGHNQGYJSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-16-5-10-19(22-16)14-20-13-17-6-8-18(9-7-17)15-21-11-3-2-4-12-21/h5-10,20H,2-4,11-15H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine?
N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 298.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 119163966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).