1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine

C14H21ClN2O — CID 117425635

IUPAC1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C14H21ClN2O/c1-14(2,16)10-11-9-12(15)3-4-13(11)17-5-7-18-8-6-17/h3-4,9H,5-8,10,16H2,1-2H3
InChIKeyGXPLYNPIWPCPMW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.46
Rot. Bonds3

About 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine

1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine (PubChem CID 117425635) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine
PubChem CID117425635
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C14H21ClN2O/c1-14(2,16)10-11-9-12(15)3-4-13(11)17-5-7-18-8-6-17/h3-4,9H,5-8,10,16H2,1-2H3
InChIKeyGXPLYNPIWPCPMW-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
2-(4-chloro-2-morpholin-4-ylphenyl)ethanamine
CID 114860184
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972680
1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117379877
5-chloro-2-(1,4-oxazepan-4-yl)aniline
CID 62987959
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114850835
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
5-chloro-2-morpholin-4-ylbenzenecarbothioamide
CID 62492802
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088
(2,5-dihydroxypyrrol-1-yl) 4-[(5-chloro-2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate
CID 123553841

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine (CID 117425635) is 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine?
The InChIKey is GXPLYNPIWPCPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2,16)10-11-9-12(15)3-4-13(11)17-5-7-18-8-6-17/h3-4,9H,5-8,10,16H2,1-2H3.
What are the key properties of 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine?
1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine has a molecular weight of 268.79 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117425635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).