3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine

C15H21BrFN — CID 83148247

IUPAC3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(Cc1ccc(F)c(Br)c1)C1CC1
InChIInChI=1S/C15H21BrFN/c1-3-18-10-15(2,12-5-6-12)9-11-4-7-14(17)13(16)8-11/h4,7-8,12,18H,3,5-6,9-10H2,1-2H3
InChIKeyGEKWVBYWAMSIAX-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.16
Rot. Bonds6

About 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine

3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine (PubChem CID 83148247) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
PubChem CID83148247
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(Cc1ccc(F)c(Br)c1)C1CC1
InChIInChI=1S/C15H21BrFN/c1-3-18-10-15(2,12-5-6-12)9-11-4-7-14(17)13(16)8-11/h4,7-8,12,18H,3,5-6,9-10H2,1-2H3
InChIKeyGEKWVBYWAMSIAX-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83149504
N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 103041178
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103698815
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
2-[(3-bromo-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62723478
4-(3-bromo-4-fluorophenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 81022999
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
3-(3-bromo-4-fluorophenyl)-2,2-dimethylpropanal
CID 130631347
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053
2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119507812

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine (CID 83148247) is 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine is CCNCC(C)(Cc1ccc(F)c(Br)c1)C1CC1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine?
The InChIKey is GEKWVBYWAMSIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-3-18-10-15(2,12-5-6-12)9-11-4-7-14(17)13(16)8-11/h4,7-8,12,18H,3,5-6,9-10H2,1-2H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine?
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 83148247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).