2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol

C11H16ClNO — CID 73115423

IUPAC2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8/h3-7,10-11,14H,13H2,1-2H3
InChIKeyNFBNILRAYFAGBW-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.36
Rot. Bonds3

About 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol

2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol (PubChem CID 73115423) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
PubChem CID73115423
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8/h3-7,10-11,14H,13H2,1-2H3
InChIKeyNFBNILRAYFAGBW-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
5-(2-amino-1-hydroxy-3-methylbutyl)-2-fluorobenzonitrile
CID 107936451
(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 130970930
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
CID 112512257
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol (CID 73115423) is 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol is CC(C)C(N)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol?
The InChIKey is NFBNILRAYFAGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8/h3-7,10-11,14H,13H2,1-2H3.
What are the key properties of 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol?
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 73115423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).