1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine

C16H24BrNO2 — CID 103168715

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2cc(OC)ccc2Br)C1
InChIInChI=1S/C16H24BrNO2/c1-3-20-15-7-11(8-15)6-13(18)9-12-10-14(19-2)4-5-16(12)17/h4-5,10-11,13,15H,3,6-9,18H2,1-2H3
InChIKeyZWRCIBCUCSOBMX-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.53
Rot. Bonds7

About 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine

1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine (PubChem CID 103168715) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
PubChem CID103168715
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2cc(OC)ccc2Br)C1
InChIInChI=1S/C16H24BrNO2/c1-3-20-15-7-11(8-15)6-13(18)9-12-10-14(19-2)4-5-16(12)17/h4-5,10-11,13,15H,3,6-9,18H2,1-2H3
InChIKeyZWRCIBCUCSOBMX-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168436
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
1-(3-ethoxycyclobutyl)-3-(furan-2-yl)propan-2-amine
CID 103169378
1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168394
1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
CID 103164107
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162727
1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103169422
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862194

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine (CID 103168715) is 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine is CCOC1CC(CC(N)Cc2cc(OC)ccc2Br)C1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The InChIKey is ZWRCIBCUCSOBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-20-15-7-11(8-15)6-13(18)9-12-10-14(19-2)4-5-16(12)17/h4-5,10-11,13,15H,3,6-9,18H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103168715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).