N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine

C16H24BrNO — CID 116714808

IUPACN-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)C1(OC)CCC1
InChIInChI=1S/C16H24BrNO/c1-3-10-18-15(16(19-2)8-5-9-16)12-13-6-4-7-14(17)11-13/h4,6-7,11,15,18H,3,5,8-10,12H2,1-2H3
InChIKeyCTVGWIJODRTIFN-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.93
Rot. Bonds7

About N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine

N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 116714808) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID116714808
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)C1(OC)CCC1
InChIInChI=1S/C16H24BrNO/c1-3-10-18-15(16(19-2)8-5-9-16)12-13-6-4-7-14(17)11-13/h4,6-7,11,15,18H,3,5,8-10,12H2,1-2H3
InChIKeyCTVGWIJODRTIFN-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198
N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714803
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 116714808) is N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)C1(OC)CCC1.
What is the InChIKey of N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is CTVGWIJODRTIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-10-18-15(16(19-2)8-5-9-16)12-13-6-4-7-14(17)11-13/h4,6-7,11,15,18H,3,5,8-10,12H2,1-2H3.
What are the key properties of N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 116714808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).