N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine

C16H24BrNO — CID 62907601

IUPACN-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)C1CCOCC1
InChIInChI=1S/C16H24BrNO/c1-2-8-18-16(14-6-9-19-10-7-14)12-13-4-3-5-15(17)11-13/h3-5,11,14,16,18H,2,6-10,12H2,1H3
InChIKeyJKFXADYROSXKPH-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.79
Rot. Bonds6

About N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine

N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 62907601) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID62907601
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)C1CCOCC1
InChIInChI=1S/C16H24BrNO/c1-2-8-18-16(14-6-9-19-10-7-14)12-13-4-3-5-15(17)11-13/h3-5,11,14,16,18H,2,6-10,12H2,1H3
InChIKeyJKFXADYROSXKPH-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
1-(3-bromophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 62600989
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
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N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
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N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
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N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
4-[2-(3-bromophenyl)-1-chloroethyl]oxane
CID 63016306
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine (CID 62907601) is N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)C1CCOCC1.
What is the InChIKey of N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is JKFXADYROSXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-8-18-16(14-6-9-19-10-7-14)12-13-4-3-5-15(17)11-13/h3-5,11,14,16,18H,2,6-10,12H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 3.79, 6 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-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62907601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).