2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol

C10H15ClN2O — CID 130893189

IUPAC2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
SMILESCCC(N)C(O)c1cc(Cl)ccc1N
InChIInChI=1S/C10H15ClN2O/c1-2-8(12)10(14)7-5-6(11)3-4-9(7)13/h3-5,8,10,14H,2,12-13H2,1H3
InChIKeyGTHYCXVDLOHEHI-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol

2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol (PubChem CID 130893189) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
PubChem CID130893189
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
SMILESCCC(N)C(O)c1cc(Cl)ccc1N
InChIInChI=1S/C10H15ClN2O/c1-2-8(12)10(14)7-5-6(11)3-4-9(7)13/h3-5,8,10,14H,2,12-13H2,1H3
InChIKeyGTHYCXVDLOHEHI-UHFFFAOYSA-N
XLogP1.69
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 130898767
(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol
CID 130707571
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-3-methylpentan-2-ol
CID 171265293
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
1-(2-amino-5-chlorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873792
(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 129389407
(R)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 129389406
3-(2-amino-5-chlorophenyl)-2,3-dihydroxypropanenitrile
CID 171869930
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol
CID 105453261
methyl 4-(2-amino-5-chlorophenyl)-3,4-dihydroxybutanoate
CID 171895291

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol?
The IUPAC name of 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol (CID 130893189) is 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol?
The canonical SMILES for 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol is CCC(N)C(O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol?
The InChIKey is GTHYCXVDLOHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-2-8(12)10(14)7-5-6(11)3-4-9(7)13/h3-5,8,10,14H,2,12-13H2,1H3.
What are the key properties of 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol?
2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol is sourced from PubChem (CID 130893189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).