2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline

C16H20N2O — CID 107926140

IUPAC2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
SMILESCc1ccc(N(Cc2ccco2)C2CC2)c(CN)c1
InChIInChI=1S/C16H20N2O/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,10-11,17H2,1H3
InChIKeyJJGXSUXBERNCJG-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline

2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline (PubChem CID 107926140) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
PubChem CID107926140
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
SMILESCc1ccc(N(Cc2ccco2)C2CC2)c(CN)c1
InChIInChI=1S/C16H20N2O/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,10-11,17H2,1H3
InChIKeyJJGXSUXBERNCJG-UHFFFAOYSA-N
XLogP3.22
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
CID 107927277
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
CID 81299175
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
CID 81050858
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbenzoic acid
CID 62120263
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 63734970
2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 82968919
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 63817438

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline (CID 107926140) is 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline is Cc1ccc(N(Cc2ccco2)C2CC2)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline?
The InChIKey is JJGXSUXBERNCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,10-11,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline?
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline is sourced from PubChem (CID 107926140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).