1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine

C15H22BrClN2O — CID 82779969

IUPAC1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
SMILESCCC1COCCN1CCC(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H22BrClN2O/c1-2-12-10-20-8-7-19(12)6-5-15(18)13-4-3-11(16)9-14(13)17/h3-4,9,12,15H,2,5-8,10,18H2,1H3
InChIKeyNSDKXVYLUBPLNZ-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine

1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine (PubChem CID 82779969) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
PubChem CID82779969
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
SMILESCCC1COCCN1CCC(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H22BrClN2O/c1-2-12-10-20-8-7-19(12)6-5-15(18)13-4-3-11(16)9-14(13)17/h3-4,9,12,15H,2,5-8,10,18H2,1H3
InChIKeyNSDKXVYLUBPLNZ-UHFFFAOYSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
1-(4-bromo-2-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82780041
1-(4-bromo-2-chlorophenyl)-3-(2-methylazepan-1-yl)propan-1-amine
CID 82781669
1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine
CID 82779580
1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 82780236
4-[(4-bromo-2-fluorophenyl)methyl]-3-ethylmorpholine
CID 54971347
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102967113
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
CID 82779683
2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43613076
1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62629586

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine (CID 82779969) is 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine is CCC1COCCN1CCC(N)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine?
The InChIKey is NSDKXVYLUBPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-2-12-10-20-8-7-19(12)6-5-15(18)13-4-3-11(16)9-14(13)17/h3-4,9,12,15H,2,5-8,10,18H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine?
1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine has a molecular weight of 361.71 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 82779969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).