2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline

C12H19BrN2 — CID 43268985

IUPAC2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1cc(Br)ccc1CN
InChIInChI=1S/C12H19BrN2/c1-3-7-15(4-2)12-8-11(13)6-5-10(12)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyRIPYFFVGSVCWDM-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.14
Rot. Bonds5

About 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline

2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline (PubChem CID 43268985) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
PubChem CID43268985
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1cc(Br)ccc1CN
InChIInChI=1S/C12H19BrN2/c1-3-7-15(4-2)12-8-11(13)6-5-10(12)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyRIPYFFVGSVCWDM-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
CID 63782694
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
3-[5-bromo-2-(bromomethyl)-N-ethylanilino]propanenitrile
CID 107081827
2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
CID 61424896
5-bromo-2-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63566929

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline?
The IUPAC name of 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline (CID 43268985) is 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline?
The canonical SMILES for 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline is CCCN(CC)c1cc(Br)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline?
The InChIKey is RIPYFFVGSVCWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-7-15(4-2)12-8-11(13)6-5-10(12)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline?
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline has a molecular weight of 271.20 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline is sourced from PubChem (CID 43268985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).