2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol

C15H25ClN2O — CID 55019360

IUPAC2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H25ClN2O/c1-3-4-8-18(9-10-19)15(12(2)17)13-6-5-7-14(16)11-13/h5-7,11-12,15,19H,3-4,8-10,17H2,1-2H3
InChIKeyKQHIEJQYRZUKFL-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.82
Rot. Bonds8

About 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol

2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol (PubChem CID 55019360) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
PubChem CID55019360
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H25ClN2O/c1-3-4-8-18(9-10-19)15(12(2)17)13-6-5-7-14(16)11-13/h5-7,11-12,15,19H,3-4,8-10,17H2,1-2H3
InChIKeyKQHIEJQYRZUKFL-UHFFFAOYSA-N
XLogP2.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

2-[[2-amino-1-(4-chlorophenyl)propyl]-butylamino]ethanol
CID 55014902
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
1-(3-chlorophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55019355
2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol
CID 55020152
1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79384699
1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine
CID 55019550
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]butanenitrile
CID 55174518
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
CID 60710064
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
1-(3-chlorophenyl)decan-1-amine
CID 63412045

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol (CID 55019360) is 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol is CCCCN(CCO)C(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol?
The InChIKey is KQHIEJQYRZUKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-3-4-8-18(9-10-19)15(12(2)17)13-6-5-7-14(16)11-13/h5-7,11-12,15,19H,3-4,8-10,17H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol?
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol has a molecular weight of 284.83 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol is sourced from PubChem (CID 55019360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).