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

C16H27NO — CID 103922455

IUPAC(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
SMILESCCCCc1ccc(C(C)N[C@H](CC)CO)cc1
InChIInChI=1S/C16H27NO/c1-4-6-7-14-8-10-15(11-9-14)13(3)17-16(5-2)12-18/h8-11,13,16-18H,4-7,12H2,1-3H3/t13?,16-/m1/s1
InChIKeyGQUYYOMSCLUBGR-FQNRMIAFSA-N
MW249.40 g/mol
LogP3.45
Rot. Bonds8

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

(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol (PubChem CID 103922455) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
PubChem CID103922455
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
SMILESCCCCc1ccc(C(C)N[C@H](CC)CO)cc1
InChIInChI=1S/C16H27NO/c1-4-6-7-14-8-10-15(11-9-14)13(3)17-16(5-2)12-18/h8-11,13,16-18H,4-7,12H2,1-3H3/t13?,16-/m1/s1
InChIKeyGQUYYOMSCLUBGR-FQNRMIAFSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
3-[1-(4-butylphenyl)ethylamino]pentanenitrile
CID 62648001
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol
CID 106348700
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 43207200
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 43207170
(2R)-2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 103922580
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol (CID 103922455) is (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol is CCCCc1ccc(C(C)N[C@H](CC)CO)cc1.
What is the InChIKey of (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol?
The InChIKey is GQUYYOMSCLUBGR-FQNRMIAFSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-7-14-8-10-15(11-9-14)13(3)17-16(5-2)12-18/h8-11,13,16-18H,4-7,12H2,1-3H3/t13?,16-/m1/s1.
What are the key properties of (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol?
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 103922455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).