1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol

C12H19ClN2O — CID 115121708

IUPAC1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
SMILESCN(CCc1ccc(Cl)cc1)CC(O)CN
InChIInChI=1S/C12H19ClN2O/c1-15(9-12(16)8-14)7-6-10-2-4-11(13)5-3-10/h2-5,12,16H,6-9,14H2,1H3
InChIKeyFXXRAXVDAWTDLT-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.13
Rot. Bonds6

About 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol

1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol (PubChem CID 115121708) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
PubChem CID115121708
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
SMILESCN(CCc1ccc(Cl)cc1)CC(O)CN
InChIInChI=1S/C12H19ClN2O/c1-15(9-12(16)8-14)7-6-10-2-4-11(13)5-3-10/h2-5,12,16H,6-9,14H2,1H3
InChIKeyFXXRAXVDAWTDLT-UHFFFAOYSA-N
XLogP1.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
CID 117039279
N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203453
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
CID 115121461
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305
4-amino-1-[2-(3-bromophenyl)ethyl-methylamino]butan-2-ol
CID 117039318

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol (CID 115121708) is 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol is CN(CCc1ccc(Cl)cc1)CC(O)CN.
What is the InChIKey of 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol?
The InChIKey is FXXRAXVDAWTDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-15(9-12(16)8-14)7-6-10-2-4-11(13)5-3-10/h2-5,12,16H,6-9,14H2,1H3.
What are the key properties of 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol?
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 115121708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).