4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine

C17H27BrN2O — CID 107573280

IUPAC4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(CN)(Nc2cc(C)c(Br)c(C)c2)CCO1
InChIInChI=1S/C17H27BrN2O/c1-4-5-15-10-17(11-19,6-7-21-15)20-14-8-12(2)16(18)13(3)9-14/h8-9,15,20H,4-7,10-11,19H2,1-3H3
InChIKeyBHBACGRLNDUQQP-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.15
Rot. Bonds5

About 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine

4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine (PubChem CID 107573280) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
PubChem CID107573280
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(CN)(Nc2cc(C)c(Br)c(C)c2)CCO1
InChIInChI=1S/C17H27BrN2O/c1-4-5-15-10-17(11-19,6-7-21-15)20-14-8-12(2)16(18)13(3)9-14/h8-9,15,20H,4-7,10-11,19H2,1-3H3
InChIKeyBHBACGRLNDUQQP-UHFFFAOYSA-N
XLogP4.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-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

4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
CID 107573083
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
CID 65376917
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
CID 65385977
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
CID 114839078
4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
4-(aminomethyl)-2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378217
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424
N-[4-(aminomethyl)-2-propyloxan-4-yl]piperidin-1-amine
CID 83010684
4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine
CID 116641218

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine (CID 107573280) is 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine is CCCC1CC(CN)(Nc2cc(C)c(Br)c(C)c2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine?
The InChIKey is BHBACGRLNDUQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-5-15-10-17(11-19,6-7-21-15)20-14-8-12(2)16(18)13(3)9-14/h8-9,15,20H,4-7,10-11,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine?
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine has a molecular weight of 355.32 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine is sourced from PubChem (CID 107573280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).