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

C14H21BrFNO — CID 113391425

IUPAC1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
SMILESCCNC(Cc1ccc(F)c(Br)c1)CC(C)OC
InChIInChI=1S/C14H21BrFNO/c1-4-17-12(7-10(2)18-3)8-11-5-6-14(16)13(15)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3
InChIKeyGSVGCMAMFPWDNM-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.53
Rot. Bonds7

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

1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine (PubChem CID 113391425) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
PubChem CID113391425
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
SMILESCCNC(Cc1ccc(F)c(Br)c1)CC(C)OC
InChIInChI=1S/C14H21BrFNO/c1-4-17-12(7-10(2)18-3)8-11-5-6-14(16)13(15)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3
InChIKeyGSVGCMAMFPWDNM-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 63401426
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987220
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757954
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105290502
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105111283
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113471311
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105111357

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine (CID 113391425) is 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine is CCNC(Cc1ccc(F)c(Br)c1)CC(C)OC.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine?
The InChIKey is GSVGCMAMFPWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-4-17-12(7-10(2)18-3)8-11-5-6-14(16)13(15)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine?
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine has a molecular weight of 318.23 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine is sourced from PubChem (CID 113391425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).