2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol

C13H20ClNO — CID 82312960

IUPAC2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
SMILESCCC(C)NC(C)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-4-9(2)15-10(3)13(16)11-5-7-12(14)8-6-11/h5-10,13,15-16H,4H2,1-3H3
InChIKeyHTPFGPKDYCZFJC-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.15
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol

2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol (PubChem CID 82312960) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
PubChem CID82312960
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
SMILESCCC(C)NC(C)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-4-9(2)15-10(3)13(16)11-5-7-12(14)8-6-11/h5-10,13,15-16H,4H2,1-3H3
InChIKeyHTPFGPKDYCZFJC-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312487
2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
CID 82312991
1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
CID 111478453
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960
methyl 2-(butan-2-ylamino)-2-(4-chlorophenyl)acetate
CID 54908422
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
(1S,2S)-1-(3-chlorophenyl)-2-(1-hydroxypropan-2-ylamino)propan-1-ol
CID 101431798

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol (CID 82312960) is 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol is CCC(C)NC(C)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol?
The InChIKey is HTPFGPKDYCZFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-9(2)15-10(3)13(16)11-5-7-12(14)8-6-11/h5-10,13,15-16H,4H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol?
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 82312960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).