2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline

C12H16BrN — CID 43363161

IUPAC2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)C1(C)CC1
InChIInChI=1S/C12H16BrN/c1-9(12(2)7-8-12)14-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyKIGZLYAAVVWIDD-UHFFFAOYSA-N
MW254.17 g/mol
LogP4.05
Rot. Bonds3

About 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline

2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline (PubChem CID 43363161) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline
PubChem CID43363161
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)C1(C)CC1
InChIInChI=1S/C12H16BrN/c1-9(12(2)7-8-12)14-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyKIGZLYAAVVWIDD-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173505
2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173433
2,3-difluoro-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 61076984
(1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 81378593
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
N-methyl-2-[2-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43692229
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
2-bromo-N-butan-2-ylaniline
CID 43194515
N-[1-(1-methylcyclopropyl)ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675505
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43363069
2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline (CID 43363161) is 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline is CC(Nc1ccccc1Br)C1(C)CC1.
What is the InChIKey of 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The InChIKey is KIGZLYAAVVWIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9(12(2)7-8-12)14-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline has a molecular weight of 254.17 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline is sourced from PubChem (CID 43363161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).