2-amino-1-(4-propan-2-ylphenyl)butan-1-ol

C13H21NO — CID 43566119

IUPAC2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
SMILESCCC(N)C(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-4-12(14)13(15)11-7-5-10(6-8-11)9(2)3/h5-9,12-13,15H,4,14H2,1-3H3
InChIKeyLANZAZMFIJQBDQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol

2-amino-1-(4-propan-2-ylphenyl)butan-1-ol (PubChem CID 43566119) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
PubChem CID43566119
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
SMILESCCC(N)C(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-4-12(14)13(15)11-7-5-10(6-8-11)9(2)3/h5-9,12-13,15H,4,14H2,1-3H3
InChIKeyLANZAZMFIJQBDQ-UHFFFAOYSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 61082952
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 43566144
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)butan-2-ol;hydrochloride
CID 171162399
4-amino-3-(4-propan-2-ylphenyl)hexan-1-ol
CID 66090556
2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
CID 115527154
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
2-(ethylamino)-1-(4-propan-2-ylphenyl)butan-1-ol
CID 82312822
(1S,2R)-2-amino-1-(3-aminophenyl)butan-1-ol
CID 131093419

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol?
The IUPAC name of 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol (CID 43566119) is 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol?
The canonical SMILES for 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol is CCC(N)C(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol?
The InChIKey is LANZAZMFIJQBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(14)13(15)11-7-5-10(6-8-11)9(2)3/h5-9,12-13,15H,4,14H2,1-3H3.
What are the key properties of 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol?
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propan-2-ylphenyl)butan-1-ol is sourced from PubChem (CID 43566119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).