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

C13H21ClN2O — CID 113468616

IUPAC3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
SMILESCCN(CCCO)C(CN)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2O/c1-2-16(8-5-9-17)13(10-15)11-6-3-4-7-12(11)14/h3-4,6-7,13,17H,2,5,8-10,15H2,1H3
InChIKeyPXWOFAHCBPBUEN-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.04
Rot. Bonds7

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

3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol (PubChem CID 113468616) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
PubChem CID113468616
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
SMILESCCN(CCCO)C(CN)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2O/c1-2-16(8-5-9-17)13(10-15)11-6-3-4-7-12(11)14/h3-4,6-7,13,17H,2,5,8-10,15H2,1H3
InChIKeyPXWOFAHCBPBUEN-UHFFFAOYSA-N
XLogP2.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propanenitrile
CID 55022708
5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
CID 107198381
2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478830
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine
CID 82042176
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 82043559
(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 93489617
3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
CID 62644404

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol (CID 113468616) is 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol is CCN(CCCO)C(CN)c1ccccc1Cl.
What is the InChIKey of 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol?
The InChIKey is PXWOFAHCBPBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-16(8-5-9-17)13(10-15)11-6-3-4-7-12(11)14/h3-4,6-7,13,17H,2,5,8-10,15H2,1H3.
What are the key properties of 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol?
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol has a molecular weight of 256.78 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol is sourced from PubChem (CID 113468616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).