2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline

C15H25BrN2O — CID 62912192

IUPAC2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)C(C)COC)c(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-6-17-12(3)13-7-8-15(14(16)9-13)18(4)11(2)10-19-5/h7-9,11-12,17H,6,10H2,1-5H3
InChIKeyQTBMRANTPGTWED-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.59
Rot. Bonds7

About 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline

2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline (PubChem CID 62912192) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
PubChem CID62912192
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)C(C)COC)c(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-6-17-12(3)13-7-8-15(14(16)9-13)18(4)11(2)10-19-5/h7-9,11-12,17H,6,10H2,1-5H3
InChIKeyQTBMRANTPGTWED-UHFFFAOYSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(1-methoxypropan-2-yl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 62912193
2-bromo-N-butan-2-yl-4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)aniline
CID 62912370
2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
CID 63532672
2-bromo-N-(2-ethoxyethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63697741
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline
CID 63532676
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
2-bromo-N-ethyl-N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]aniline
CID 55131115
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 62912215
2-bromo-N-(2-methoxyethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910434
2-bromo-4-[1-(ethylamino)ethyl]phenol
CID 62910509
2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62909357
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660620

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline?
The IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline (CID 62912192) is 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline.
What is the SMILES notation for 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline?
The canonical SMILES for 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline is CCNC(C)c1ccc(N(C)C(C)COC)c(Br)c1.
What is the InChIKey of 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline?
The InChIKey is QTBMRANTPGTWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-6-17-12(3)13-7-8-15(14(16)9-13)18(4)11(2)10-19-5/h7-9,11-12,17H,6,10H2,1-5H3.
What are the key properties of 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline?
2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline has a molecular weight of 329.28 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline is sourced from PubChem (CID 62912192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).