2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline

C16H19BrN2O — CID 82968919

IUPAC2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
SMILESCC(N)c1ccc(Br)cc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H19BrN2O/c1-11(18)15-7-4-12(17)9-16(15)19(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,11,13H,5-6,10,18H2,1H3
InChIKeyPZOYJXJHSMRJRM-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.23
Rot. Bonds5

About 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline

2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline (PubChem CID 82968919) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
PubChem CID82968919
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
SMILESCC(N)c1ccc(Br)cc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H19BrN2O/c1-11(18)15-7-4-12(17)9-16(15)19(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,11,13H,5-6,10,18H2,1H3
InChIKeyPZOYJXJHSMRJRM-UHFFFAOYSA-N
XLogP4.23
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 63734970
2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 63817438
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
CID 81050858
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
CID 81299175
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
CID 82968388
6-(1-aminopropyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 115939467
2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
CID 107927277
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
CID 82900371

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline (CID 82968919) is 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline is CC(N)c1ccc(Br)cc1N(Cc1ccco1)C1CC1.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline?
The InChIKey is PZOYJXJHSMRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11(18)15-7-4-12(17)9-16(15)19(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,11,13H,5-6,10,18H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline?
2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline has a molecular weight of 335.25 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 82968919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).