1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol

C15H25ClN2O — CID 79384699

IUPAC1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H25ClN2O/c1-5-18(10-15(3,4)19)14(11(2)17)12-7-6-8-13(16)9-12/h6-9,11,14,19H,5,10,17H2,1-4H3
InChIKeyMNSRSRVTNWULBN-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.82
Rot. Bonds6

About 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol

1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79384699) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79384699
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H25ClN2O/c1-5-18(10-15(3,4)19)14(11(2)17)12-7-6-8-13(16)9-12/h6-9,11,14,19H,5,10,17H2,1-4H3
InChIKeyMNSRSRVTNWULBN-UHFFFAOYSA-N
XLogP2.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55019355
1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine
CID 55019550
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
CID 111496501
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]butanenitrile
CID 55174518
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377199
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol (CID 79384699) is 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)C(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is MNSRSRVTNWULBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-5-18(10-15(3,4)19)14(11(2)17)12-7-6-8-13(16)9-12/h6-9,11,14,19H,5,10,17H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 284.83 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).