N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine

C14H17NO — CID 81327593

IUPACN-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESCc1cccc(C)c1CNCc1ccco1
InChIInChI=1S/C14H17NO/c1-11-5-3-6-12(2)14(11)10-15-9-13-7-4-8-16-13/h3-8,15H,9-10H2,1-2H3
InChIKeySTONOTBGTKOGSU-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.19
Rot. Bonds4

About N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine

N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 81327593) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
PubChem CID81327593
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESCc1cccc(C)c1CNCc1ccco1
InChIInChI=1S/C14H17NO/c1-11-5-3-6-12(2)14(11)10-15-9-13-7-4-8-16-13/h3-8,15H,9-10H2,1-2H3
InChIKeySTONOTBGTKOGSU-UHFFFAOYSA-N
XLogP3.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809780
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 4723153
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093
1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine
CID 60984036
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 6462424
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826
furan-2-ylmethanol;1,2,3-trimethylbenzene
CID 175370642
N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 62562532
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine (CID 81327593) is N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine is Cc1cccc(C)c1CNCc1ccco1.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is STONOTBGTKOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-5-3-6-12(2)14(11)10-15-9-13-7-4-8-16-13/h3-8,15H,9-10H2,1-2H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine?
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 81327593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).