4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline

C17H25BrN2 — CID 82968101

IUPAC4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1cc(Br)ccc1N(CC1CC1)C1CC1
InChIInChI=1S/C17H25BrN2/c1-3-19-12(2)16-10-14(18)6-9-17(16)20(15-7-8-15)11-13-4-5-13/h6,9-10,12-13,15,19H,3-5,7-8,11H2,1-2H3
InChIKeyLLKUCOYOFVKAGS-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.50
Rot. Bonds7

About 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline

4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline (PubChem CID 82968101) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
PubChem CID82968101
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1cc(Br)ccc1N(CC1CC1)C1CC1
InChIInChI=1S/C17H25BrN2/c1-3-19-12(2)16-10-14(18)6-9-17(16)20(15-7-8-15)11-13-4-5-13/h6,9-10,12-13,15,19H,3-5,7-8,11H2,1-2H3
InChIKeyLLKUCOYOFVKAGS-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
CID 82968388
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
CID 82955224
3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline
CID 64522368
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
CID 82968198

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline (CID 82968101) is 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline is CCNC(C)c1cc(Br)ccc1N(CC1CC1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline?
The InChIKey is LLKUCOYOFVKAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-3-19-12(2)16-10-14(18)6-9-17(16)20(15-7-8-15)11-13-4-5-13/h6,9-10,12-13,15,19H,3-5,7-8,11H2,1-2H3.
What are the key properties of 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline?
4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline has a molecular weight of 337.31 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline is sourced from PubChem (CID 82968101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).