1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine

C14H21BrN2O — CID 62629586

IUPAC1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCC1COCCN1CCC(N)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-11-10-18-9-8-17(11)7-6-14(16)12-4-2-3-5-13(12)15/h2-5,11,14H,6-10,16H2,1H3
InChIKeyFQWOPKWPRFCWBK-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine

1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine (PubChem CID 62629586) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
PubChem CID62629586
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCC1COCCN1CCC(N)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-11-10-18-9-8-17(11)7-6-14(16)12-4-2-3-5-13(12)15/h2-5,11,14H,6-10,16H2,1H3
InChIKeyFQWOPKWPRFCWBK-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-morpholin-4-ylpropan-1-amine
CID 55098547
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
2-(3-methylmorpholin-4-yl)-1-(2-methylphenyl)ethanamine
CID 43542047
2-bromo-N-[2-(3-methylmorpholin-4-yl)ethyl]aniline
CID 62561525
1-(2-bromophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-amine
CID 62625394
[1-[3-amino-3-(2-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789551
1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62644652
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 62629948
1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743611
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 55099044
3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine
CID 55098260
1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine
CID 55098553

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine (CID 62629586) is 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine is CC1COCCN1CCC(N)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine?
The InChIKey is FQWOPKWPRFCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11-10-18-9-8-17(11)7-6-14(16)12-4-2-3-5-13(12)15/h2-5,11,14H,6-10,16H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine?
1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine has a molecular weight of 313.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 62629586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).