N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine

C14H22BrNO — CID 83140591

IUPACN-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
SMILESCc1cc(OC(C)CNC(C)(C)C)ccc1Br
InChIInChI=1S/C14H22BrNO/c1-10-8-12(6-7-13(10)15)17-11(2)9-16-14(3,4)5/h6-8,11,16H,9H2,1-5H3
InChIKeyNOJTZSVTBQASHZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.91
Rot. Bonds4

About N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine

N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine (PubChem CID 83140591) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
PubChem CID83140591
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
SMILESCc1cc(OC(C)CNC(C)(C)C)ccc1Br
InChIInChI=1S/C14H22BrNO/c1-10-8-12(6-7-13(10)15)17-11(2)9-16-14(3,4)5/h6-8,11,16H,9H2,1-5H3
InChIKeyNOJTZSVTBQASHZ-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-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

N-[2-(4-bromo-3-methylphenoxy)propyl]aniline
CID 83140021
2-(4-bromo-3-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 83140097
N-[2-(4-bromo-3,5-dimethylphenoxy)propyl]-2-methylbutan-2-amine
CID 107726655
2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83141001
N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 83138171
2-methyl-N-[2-(2-methyl-5-propan-2-ylphenoxy)propyl]propan-2-amine
CID 63496668
N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine
CID 166997046
N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine
CID 126654324
2-methyl-N-(2-quinolin-7-yloxypropyl)propan-2-amine
CID 107314978
N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 177295923
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
N-[[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 83134665

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine (CID 83140591) is N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine is Cc1cc(OC(C)CNC(C)(C)C)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is NOJTZSVTBQASHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10-8-12(6-7-13(10)15)17-11(2)9-16-14(3,4)5/h6-8,11,16H,9H2,1-5H3.
What are the key properties of N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine?
N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83140591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).