5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline

C13H21BrN2 — CID 43281562

IUPAC5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCCN(C)c1cc(Br)ccc1CNC(C)C
InChIInChI=1S/C13H21BrN2/c1-5-16(4)13-8-12(14)7-6-11(13)9-15-10(2)3/h6-8,10,15H,5,9H2,1-4H3
InChIKeySEVWBAZEIIXTTR-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.40
Rot. Bonds5

About 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline

5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 43281562) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID43281562
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCCN(C)c1cc(Br)ccc1CNC(C)C
InChIInChI=1S/C13H21BrN2/c1-5-16(4)13-8-12(14)7-6-11(13)9-15-10(2)3/h6-8,10,15H,5,9H2,1-4H3
InChIKeySEVWBAZEIIXTTR-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281059
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
5-bromo-N-methyl-N-(oxan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 61432414
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63553056
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
5-bromo-N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281268
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63553037
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline (CID 43281562) is 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline is CCN(C)c1cc(Br)ccc1CNC(C)C.
What is the InChIKey of 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is SEVWBAZEIIXTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-5-16(4)13-8-12(14)7-6-11(13)9-15-10(2)3/h6-8,10,15H,5,9H2,1-4H3.
What are the key properties of 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 285.23 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 43281562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).