1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine

C15H22BrNO — CID 112621766

IUPAC1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Br)cc(C)c1OCC1CC1
InChIInChI=1S/C15H22BrNO/c1-3-14(17)8-12-7-13(16)6-10(2)15(12)18-9-11-4-5-11/h6-7,11,14H,3-5,8-9,17H2,1-2H3
InChIKeyFTEGLWKFOUJEOU-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.83
Rot. Bonds6

About 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine

1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine (PubChem CID 112621766) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
PubChem CID112621766
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Br)cc(C)c1OCC1CC1
InChIInChI=1S/C15H22BrNO/c1-3-14(17)8-12-7-13(16)6-10(2)15(12)18-9-11-4-5-11/h6-7,11,14H,3-5,8-9,17H2,1-2H3
InChIKeyFTEGLWKFOUJEOU-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-bromo-3-methyl-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115962930
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[5-bromo-3-methyl-2-(2-methylbutoxy)phenyl]butan-2-amine
CID 112621761
N-[[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620322
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-[5-bromo-3-methyl-2-(3-methylsulfonylpropoxy)phenyl]butan-2-amine
CID 115962988
1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
CID 170890252
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
CID 115962991
propan-2-yl 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]acetate
CID 115962903
1-(5-bromo-2-hept-6-enoxy-3-methylphenyl)butan-2-amine
CID 107009957

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine (CID 112621766) is 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine is CCC(N)Cc1cc(Br)cc(C)c1OCC1CC1.
What is the InChIKey of 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine?
The InChIKey is FTEGLWKFOUJEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-14(17)8-12-7-13(16)6-10(2)15(12)18-9-11-4-5-11/h6-7,11,14H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine?
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine has a molecular weight of 312.25 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 112621766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).