1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine

C14H21BrFNO — CID 103028593

IUPAC1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1cc(F)cc(Br)c1)CC(C)(C)OC
InChIInChI=1S/C14H21BrFNO/c1-14(2,18-4)9-13(17-3)7-10-5-11(15)8-12(16)6-10/h5-6,8,13,17H,7,9H2,1-4H3
InChIKeyUBMSXLPYOGSZTK-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.53
Rot. Bonds6

About 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine

1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 103028593) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
PubChem CID103028593
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1cc(F)cc(Br)c1)CC(C)(C)OC
InChIInChI=1S/C14H21BrFNO/c1-14(2,18-4)9-13(17-3)7-10-5-11(15)8-12(16)6-10/h5-6,8,13,17H,7,9H2,1-4H3
InChIKeyUBMSXLPYOGSZTK-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-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

1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028595
[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274397
N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760534
1-(3-bromo-5-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105169473
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025148
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine
CID 79709304
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79708988
1-(3-bromo-5-fluorophenyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79709704
1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 79709297
1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 79699824
1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 79708487

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine (CID 103028593) is 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine is CNC(Cc1cc(F)cc(Br)c1)CC(C)(C)OC.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is UBMSXLPYOGSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-14(2,18-4)9-13(17-3)7-10-5-11(15)8-12(16)6-10/h5-6,8,13,17H,7,9H2,1-4H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine?
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 318.23 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 103028593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).