3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline

C14H17BrN2O — CID 102813620

IUPAC3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline
SMILESCCN(Cc1ccco1)c1cc(Br)cc(CN)c1
InChIInChI=1S/C14H17BrN2O/c1-2-17(10-14-4-3-5-18-14)13-7-11(9-16)6-12(15)8-13/h3-8H,2,9-10,16H2,1H3
InChIKeyPGASDMUYVOPABV-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.53
Rot. Bonds5

About 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline

3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline (PubChem CID 102813620) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline
PubChem CID102813620
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline
SMILESCCN(Cc1ccco1)c1cc(Br)cc(CN)c1
InChIInChI=1S/C14H17BrN2O/c1-2-17(10-14-4-3-5-18-14)13-7-11(9-16)6-12(15)8-13/h3-8H,2,9-10,16H2,1H3
InChIKeyPGASDMUYVOPABV-UHFFFAOYSA-N
XLogP3.53
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512
5-bromo-2-[ethyl(furan-2-ylmethyl)amino]benzenecarbothioamide
CID 114891439
5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
CID 80730860
[3-bromo-5-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 102818582
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
3,5-dibromo-N,N-diethylaniline
CID 134337323
3-bromo-4-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 82796951
(1S)-1-[3-bromo-4-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 78940037
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63060085
2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 104711640

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline (CID 102813620) is 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline is CCN(Cc1ccco1)c1cc(Br)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline?
The InChIKey is PGASDMUYVOPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-2-17(10-14-4-3-5-18-14)13-7-11(9-16)6-12(15)8-13/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline?
3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline has a molecular weight of 309.21 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 102813620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).