2-bromo-N-(3-methoxybutan-2-yl)aniline

C11H16BrNO — CID 115928171

IUPAC2-bromo-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-8(9(2)14-3)13-11-7-5-4-6-10(11)12/h4-9,13H,1-3H3
InChIKeyTURPNJFTPMFKSE-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.28
Rot. Bonds4

About 2-bromo-N-(3-methoxybutan-2-yl)aniline

2-bromo-N-(3-methoxybutan-2-yl)aniline (PubChem CID 115928171) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-bromo-N-(3-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-N-(3-methoxybutan-2-yl)aniline
PubChem CID115928171
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-bromo-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-8(9(2)14-3)13-11-7-5-4-6-10(11)12/h4-9,13H,1-3H3
InChIKeyTURPNJFTPMFKSE-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-N-(3-methoxybutan-2-yl)aniline
CID 107597295
2-bromo-N-butan-2-ylaniline
CID 43194515
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 103906291
2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide
CID 113354885
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
4-bromo-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115917079
2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
3-(2-bromoanilino)-2-methylbutan-2-ol
CID 65332677
2-ethoxy-N-(3-methoxybutan-2-yl)pyridin-3-amine
CID 115922159

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methoxybutan-2-yl)aniline?
The IUPAC name of 2-bromo-N-(3-methoxybutan-2-yl)aniline (CID 115928171) is 2-bromo-N-(3-methoxybutan-2-yl)aniline.
What is the SMILES notation for 2-bromo-N-(3-methoxybutan-2-yl)aniline?
The canonical SMILES for 2-bromo-N-(3-methoxybutan-2-yl)aniline is COC(C)C(C)Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-methoxybutan-2-yl)aniline?
The InChIKey is TURPNJFTPMFKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(9(2)14-3)13-11-7-5-4-6-10(11)12/h4-9,13H,1-3H3.
What are the key properties of 2-bromo-N-(3-methoxybutan-2-yl)aniline?
2-bromo-N-(3-methoxybutan-2-yl)aniline has a molecular weight of 258.16 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methoxybutan-2-yl)aniline is sourced from PubChem (CID 115928171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).