1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine

C17H25BrFNO — CID 103169189

IUPAC1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(F)cc(Br)c1)CC1CC(OCC)C1
InChIInChI=1S/C17H25BrFNO/c1-3-20-16(8-13-9-17(10-13)21-4-2)7-12-5-14(18)11-15(19)6-12/h5-6,11,13,16-17,20H,3-4,7-10H2,1-2H3
InChIKeyBUQKIKKEQLIWCA-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.31
Rot. Bonds8

About 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine

1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine (PubChem CID 103169189) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
PubChem CID103169189
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(F)cc(Br)c1)CC1CC(OCC)C1
InChIInChI=1S/C17H25BrFNO/c1-3-20-16(8-13-9-17(10-13)21-4-2)7-12-5-14(18)11-15(19)6-12/h5-6,11,13,16-17,20H,3-4,7-10H2,1-2H3
InChIKeyBUQKIKKEQLIWCA-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
[1-(3-bromophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170381
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propoxypropan-2-amine
CID 79709539
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 79709055
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 79709297
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168471
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105324755

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine (CID 103169189) is 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine is CCNC(Cc1cc(F)cc(Br)c1)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The InChIKey is BUQKIKKEQLIWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-3-20-16(8-13-9-17(10-13)21-4-2)7-12-5-14(18)11-15(19)6-12/h5-6,11,13,16-17,20H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine has a molecular weight of 358.30 g/mol, XLogP of 4.31, 8 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)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 103169189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).