N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride

C14H21BrClNO — CID 6461894

IUPACN-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
SMILESC=CCOc1ccc(Br)cc1CNC(C)(C)C.Cl
InChIInChI=1S/C14H20BrNO.ClH/c1-5-8-17-13-7-6-12(15)9-11(13)10-16-14(2,3)4;/h5-7,9,16H,1,8,10H2,2-4H3;1H
InChIKeyFQXBOLWVOQRDMY-UHFFFAOYSA-N
MW334.69 g/mol
LogP4.32
Rot. Bonds5

About N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride

N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 6461894) has the molecular formula C14H21BrClNO and a molecular weight of 334.69 g/mol. Its IUPAC name is N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID6461894
Molecular FormulaC14H21BrClNO
Molecular Weight334.69 g/mol
Exact Mass333.05
IUPAC NameN-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
SMILESC=CCOc1ccc(Br)cc1CNC(C)(C)C.Cl
InChIInChI=1S/C14H20BrNO.ClH/c1-5-8-17-13-7-6-12(15)9-11(13)10-16-14(2,3)4;/h5-7,9,16H,1,8,10H2,2-4H3;1H
InChIKeyFQXBOLWVOQRDMY-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride 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-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716524
(2S,3S)-N-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10809458
1-(5-Bromo-2-methoxybenzyl)azepane
CID 764311
Adamantan-1-yl-(5-bromo-2-methoxy-benzyl)-amine
CID 2853512
N-[(5-bromo-2-methoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 4721887
(2-(4-bromophenoxy)phenyl)-N,N-dimethylmethanamine
CID 23378645
N-(5-bromo-2-isobutoxybenzyl)-2-methyl-2-propanamine hydrochloride
CID 2980736
1-(5-Bromo-2-methoxy-benzyl)-azocane
CID 791262
N-[2-(benzyloxy)-5-bromobenzyl]-N-(3-ethoxypropyl)amine
CID 1814803
N-(5-bromo-2-ethoxybenzyl)-2-(morpholin-4-yl)ethanamine
CID 1817944
2-{[2-(Benzyloxy)-5-bromobenzyl]amino}ethanol hydrochloride
CID 2951112
2-{[2-(Allyloxy)-5-bromobenzyl]amino}-2-methyl-1-propanol hydrochloride
CID 2959669

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride (CID 6461894) is N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride is C=CCOc1ccc(Br)cc1CNC(C)(C)C.Cl.
What is the InChIKey of N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is FQXBOLWVOQRDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO.ClH/c1-5-8-17-13-7-6-12(15)9-11(13)10-16-14(2,3)4;/h5-7,9,16H,1,8,10H2,2-4H3;1H.
What are the key properties of N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 334.69 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 6461894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).