5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol

C14H23ClN2O — CID 107198381

IUPAC5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C(CN)c1ccccc1Cl
InChIInChI=1S/C14H23ClN2O/c1-17(9-5-2-6-10-18)14(11-16)12-7-3-4-8-13(12)15/h3-4,7-8,14,18H,2,5-6,9-11,16H2,1H3
InChIKeyOFXYGMNEEXRWLR-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.43
Rot. Bonds8

About 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol

5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol (PubChem CID 107198381) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
PubChem CID107198381
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C(CN)c1ccccc1Cl
InChIInChI=1S/C14H23ClN2O/c1-17(9-5-2-6-10-18)14(11-16)12-7-3-4-8-13(12)15/h3-4,7-8,14,18H,2,5-6,9-11,16H2,1H3
InChIKeyOFXYGMNEEXRWLR-UHFFFAOYSA-N
XLogP2.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
CID 113468616
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
3-(2-chlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924215
2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478830
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 114487976
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013227
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol (CID 107198381) is 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol is CN(CCCCCO)C(CN)c1ccccc1Cl.
What is the InChIKey of 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol?
The InChIKey is OFXYGMNEEXRWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-17(9-5-2-6-10-18)14(11-16)12-7-3-4-8-13(12)15/h3-4,7-8,14,18H,2,5-6,9-11,16H2,1H3.
What are the key properties of 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol?
5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol has a molecular weight of 270.80 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107198381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).