5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol

C13H20Cl2N2O — CID 107316920

IUPAC5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O/c14-11-5-4-10(8-12(11)15)13(9-16)17-6-2-1-3-7-18/h4-5,8,13,17-18H,1-3,6-7,9,16H2
InChIKeyTWYSSQYFZNUWOF-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.75
Rot. Bonds8

About 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol

5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol (PubChem CID 107316920) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
PubChem CID107316920
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O/c14-11-5-4-10(8-12(11)15)13(9-16)17-6-2-1-3-7-18/h4-5,8,13,17-18H,1-3,6-7,9,16H2
InChIKeyTWYSSQYFZNUWOF-UHFFFAOYSA-N
XLogP2.75
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 107316866
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
4-[[2-amino-1-(4-bromo-2-chlorophenyl)ethyl]amino]butan-1-ol
CID 106841390
5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
CID 107316969
4-[[2-amino-1-(3-bromo-4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 106841472
5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 103914694
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237
4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
CID 65377405
N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol (CID 107316920) is 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol is NCC(NCCCCCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol?
The InChIKey is TWYSSQYFZNUWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c14-11-5-4-10(8-12(11)15)13(9-16)17-6-2-1-3-7-18/h4-5,8,13,17-18H,1-3,6-7,9,16H2.
What are the key properties of 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol has a molecular weight of 291.22 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107316920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).