2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline

C12H19BrN2O — CID 114889558

IUPAC2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
SMILESCOCC(C)N(C)c1ccc(Br)cc1CN
InChIInChI=1S/C12H19BrN2O/c1-9(8-16-3)15(2)12-5-4-11(13)6-10(12)7-14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyITPXQUOHIGENJK-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.38
Rot. Bonds5

About 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline

2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline (PubChem CID 114889558) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
PubChem CID114889558
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
SMILESCOCC(C)N(C)c1ccc(Br)cc1CN
InChIInChI=1S/C12H19BrN2O/c1-9(8-16-3)15(2)12-5-4-11(13)6-10(12)7-14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyITPXQUOHIGENJK-UHFFFAOYSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
CID 114889459
2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005537
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 114889739
2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline
CID 114061936
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 62912192
5-bromo-2-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005331
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
CID 61450136
2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
CID 114889622
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline (CID 114889558) is 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline is COCC(C)N(C)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline?
The InChIKey is ITPXQUOHIGENJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-9(8-16-3)15(2)12-5-4-11(13)6-10(12)7-14/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline?
2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline has a molecular weight of 287.20 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline is sourced from PubChem (CID 114889558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).