1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride

C14H22BrClN2O — CID 120847988

IUPAC1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCOC(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-14(2,16)10-17-7-8-18-13(9-17)11-3-5-12(15)6-4-11;/h3-6,13H,7-10,16H2,1-2H3;1H
InChIKeyMSZZRWWHHUYMMH-UHFFFAOYSA-N
MW349.70 g/mol
LogP2.98
Rot. Bonds3

About 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride

1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120847988) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120847988
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC Name1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCOC(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-14(2,16)10-17-7-8-18-13(9-17)11-3-5-12(15)6-4-11;/h3-6,13H,7-10,16H2,1-2H3;1H
InChIKeyMSZZRWWHHUYMMH-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373
(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
CID 94200141
(2R)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 67351459
2-[2-(4-tert-butylphenyl)morpholin-4-yl]ethanamine
CID 82024356
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045
1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
CID 71937098
1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one
CID 10766089
2-(4-bromophenyl)-4-propan-2-ylmorpholine
CID 82184636
2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
CID 110664960
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
2-methyl-1-(2-propan-2-ylmorpholin-4-yl)propan-2-amine;hydrochloride
CID 120848835
2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride (CID 120847988) is 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCOC(c2ccc(Br)cc2)C1.Cl.
What is the InChIKey of 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is MSZZRWWHHUYMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O.ClH/c1-14(2,16)10-17-7-8-18-13(9-17)11-3-5-12(15)6-4-11;/h3-6,13H,7-10,16H2,1-2H3;1H.
What are the key properties of 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride?
1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120847988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).