(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol

C15H25NO — CID 113352326

IUPAC(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
SMILESCCCc1ccc(C(C)N[C@H](CC)CO)cc1
InChIInChI=1S/C15H25NO/c1-4-6-13-7-9-14(10-8-13)12(3)16-15(5-2)11-17/h7-10,12,15-17H,4-6,11H2,1-3H3/t12?,15-/m1/s1
InChIKeyZQLYHKYJZRWLRP-WPZCJLIBSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds7

About (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol

(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol (PubChem CID 113352326) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
PubChem CID113352326
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
SMILESCCCc1ccc(C(C)N[C@H](CC)CO)cc1
InChIInChI=1S/C15H25NO/c1-4-6-13-7-9-14(10-8-13)12(3)16-15(5-2)11-17/h7-10,12,15-17H,4-6,11H2,1-3H3/t12?,15-/m1/s1
InChIKeyZQLYHKYJZRWLRP-WPZCJLIBSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 43207200
2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 43207170
(2R)-2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 103922580
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
4-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzenesulfonamide
CID 104980890
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 43207232

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol (CID 113352326) is (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol is CCCc1ccc(C(C)N[C@H](CC)CO)cc1.
What is the InChIKey of (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol?
The InChIKey is ZQLYHKYJZRWLRP-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-13-7-9-14(10-8-13)12(3)16-15(5-2)11-17/h7-10,12,15-17H,4-6,11H2,1-3H3/t12?,15-/m1/s1.
What are the key properties of (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol?
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 113352326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).