[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine

C15H20N2O — CID 61426662

IUPAC[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
SMILESCc1occc1CN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C15H20N2O/c1-12-15(7-8-18-12)11-17(2)10-14-5-3-13(9-16)4-6-14/h3-8H,9-11,16H2,1-2H3
InChIKeyYNFJOVFUIGEKEI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.68
Rot. Bonds5

About [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine

[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 61426662) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
PubChem CID61426662
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
SMILESCc1occc1CN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C15H20N2O/c1-12-15(7-8-18-12)11-17(2)10-14-5-3-13(9-16)4-6-14/h3-8H,9-11,16H2,1-2H3
InChIKeyYNFJOVFUIGEKEI-UHFFFAOYSA-N
XLogP2.68
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
CID 61426229
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
CID 62412365
3-fluoro-5-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 112646011
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 61426881
4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 63880713
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
CID 61370835
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
[3-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-2-yl]methanamine
CID 62436265
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine
CID 62411658
[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213236

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine (CID 61426662) is [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine is Cc1occc1CN(C)Cc1ccc(CN)cc1.
What is the InChIKey of [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is YNFJOVFUIGEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-15(7-8-18-12)11-17(2)10-14-5-3-13(9-16)4-6-14/h3-8H,9-11,16H2,1-2H3.
What are the key properties of [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine?
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 61426662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).