N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine

C15H22BrNO — CID 43493938

IUPACN-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1OC)C1CCC1
InChIInChI=1S/C15H22BrNO/c1-3-9-17-15(11-5-4-6-11)13-10-12(16)7-8-14(13)18-2/h7-8,10-11,15,17H,3-6,9H2,1-2H3
InChIKeyJCPGCAWTTHGCQF-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.30
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine

N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine (PubChem CID 43493938) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
PubChem CID43493938
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1OC)C1CCC1
InChIInChI=1S/C15H22BrNO/c1-3-9-17-15(11-5-4-6-11)13-10-12(16)7-8-14(13)18-2/h7-8,10-11,15,17H,3-6,9H2,1-2H3
InChIKeyJCPGCAWTTHGCQF-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-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

N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[(5-bromo-2-methoxyphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330322
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[(2,5-dibromophenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990870
N-[(3-bromo-4-propoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 104658099

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine (CID 43493938) is N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine is CCCNC(c1cc(Br)ccc1OC)C1CCC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine?
The InChIKey is JCPGCAWTTHGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-9-17-15(11-5-4-6-11)13-10-12(16)7-8-14(13)18-2/h7-8,10-11,15,17H,3-6,9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine?
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine is sourced from PubChem (CID 43493938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).