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

C13H20ClNO — CID 61049008

IUPAC2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol
SMILESCCC(C)NC(C)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-4-10(2)15-13(3,9-16)11-5-7-12(14)8-6-11/h5-8,10,15-16H,4,9H2,1-3H3
InChIKeyVDNPXTPFBOUSNV-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.94
Rot. Bonds5

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

2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol (PubChem CID 61049008) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol
PubChem CID61049008
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol
SMILESCCC(C)NC(C)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-4-10(2)15-13(3,9-16)11-5-7-12(14)8-6-11/h5-8,10,15-16H,4,9H2,1-3H3
InChIKeyVDNPXTPFBOUSNV-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61048813
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
CID 61049003
2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61048191
2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol
CID 1487207
2-(butan-2-ylamino)-2-pyridin-2-ylpropan-1-ol
CID 61049210
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-[1-(4-chlorophenyl)propan-2-ylamino]-2-methylpropan-1-ol
CID 115927458
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 61048608
2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830762
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol (CID 61049008) is 2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol is CCC(C)NC(C)(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol?
The InChIKey is VDNPXTPFBOUSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-10(2)15-13(3,9-16)11-5-7-12(14)8-6-11/h5-8,10,15-16H,4,9H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol?
2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 2.94, 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)-2-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 61049008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).