N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine

C14H18N2O — CID 28771280

IUPACN'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(CCN)Cc2ccco2)c1
InChIInChI=1S/C14H18N2O/c1-12-4-2-5-13(10-12)16(8-7-15)11-14-6-3-9-17-14/h2-6,9-10H,7-8,11,15H2,1H3
InChIKeyVPIDAUSIQQVEKD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds5

About N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine

N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 28771280) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID28771280
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(CCN)Cc2ccco2)c1
InChIInChI=1S/C14H18N2O/c1-12-4-2-5-13(10-12)16(8-7-15)11-14-6-3-9-17-14/h2-6,9-10H,7-8,11,15H2,1H3
InChIKeyVPIDAUSIQQVEKD-UHFFFAOYSA-N
XLogP2.55
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 39360616
N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 28771067
N'-(furan-2-ylmethyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 28771828
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698006
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
CID 62302429
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline
CID 62427811
N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 86910738
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline
CID 62426756
2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
CID 63330884
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
CID 138691667
CID 138691667

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine (CID 28771280) is N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(N(CCN)Cc2ccco2)c1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is VPIDAUSIQQVEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12-4-2-5-13(10-12)16(8-7-15)11-14-6-3-9-17-14/h2-6,9-10H,7-8,11,15H2,1H3.
What are the key properties of N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 28771280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).