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

C16H24BrN — CID 115863525

IUPACN-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cccc(Br)c1C
InChIInChI=1S/C16H24BrN/c1-3-10-18-16(11-13-6-4-7-13)14-8-5-9-15(17)12(14)2/h5,8-9,13,16,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyXWHQZQXKOZGFIO-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.99
Rot. Bonds6

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

N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine (PubChem CID 115863525) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
PubChem CID115863525
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cccc(Br)c1C
InChIInChI=1S/C16H24BrN/c1-3-10-18-16(11-13-6-4-7-13)14-8-5-9-15(17)12(14)2/h5,8-9,13,16,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyXWHQZQXKOZGFIO-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163193
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
1-(3-bromo-2-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845363
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[(3-bromo-2-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855832
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine (CID 115863525) is N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine is CCCNC(CC1CCC1)c1cccc(Br)c1C.
What is the InChIKey of N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine?
The InChIKey is XWHQZQXKOZGFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-3-10-18-16(11-13-6-4-7-13)14-8-5-9-15(17)12(14)2/h5,8-9,13,16,18H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine?
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine is sourced from PubChem (CID 115863525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).