(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine

C17H20BrNO — CID 105036006

IUPAC(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(Br)ccc1C
InChIInChI=1S/C17H20BrNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)15-11-13(18)9-8-12(15)2/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyUCLJBVQCMVMNLB-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.59
Rot. Bonds5

About (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine

(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine (PubChem CID 105036006) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
PubChem CID105036006
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(Br)ccc1C
InChIInChI=1S/C17H20BrNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)15-11-13(18)9-8-12(15)2/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyUCLJBVQCMVMNLB-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine 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

(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 114894620
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 107946713
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine (CID 105036006) is (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1cc(Br)ccc1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine?
The InChIKey is UCLJBVQCMVMNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)15-11-13(18)9-8-12(15)2/h4-9,11,17H,3,10,19H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine?
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105036006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).