N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine

C12H18BrN — CID 107984713

IUPACN-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(C)c1Br
InChIInChI=1S/C12H18BrN/c1-4-8-14-10(3)11-7-5-6-9(2)12(11)13/h5-7,10,14H,4,8H2,1-3H3
InChIKeyLUFZQUHYUGYEAR-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.82
Rot. Bonds4

About N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine

N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine (PubChem CID 107984713) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
PubChem CID107984713
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC NameN-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(C)c1Br
InChIInChI=1S/C12H18BrN/c1-4-8-14-10(3)11-7-5-6-9(2)12(11)13/h5-7,10,14H,4,8H2,1-3H3
InChIKeyLUFZQUHYUGYEAR-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195
1-(2-bromo-3-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 107984697
N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63531998
N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 114024207
N-[1-(2-bromo-3-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107985268
N-[(2-bromo-3-methylphenyl)-(3-chloro-4-methylphenyl)methyl]propan-1-amine
CID 107985618
1-(2-bromo-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 107985503
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107985335
N-[1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107985343
N-[(2-bromo-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107985069
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
N-[1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 107984903

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine (CID 107984713) is N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine is CCCNC(C)c1cccc(C)c1Br.
What is the InChIKey of N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is LUFZQUHYUGYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-8-14-10(3)11-7-5-6-9(2)12(11)13/h5-7,10,14H,4,8H2,1-3H3.
What are the key properties of N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine?
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107984713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).