(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol

C15H25NO2 — CID 104980899

IUPAC(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
SMILESCCCOc1ccc(C(C)N[C@@H](CC)CO)cc1
InChIInChI=1S/C15H25NO2/c1-4-10-18-15-8-6-13(7-9-15)12(3)16-14(5-2)11-17/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3/t12?,14-/m0/s1
InChIKeyBWHDMNHFHCKTRZ-PYMCNQPYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds8

About (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol

(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol (PubChem CID 104980899) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
PubChem CID104980899
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
SMILESCCCOc1ccc(C(C)N[C@@H](CC)CO)cc1
InChIInChI=1S/C15H25NO2/c1-4-10-18-15-8-6-13(7-9-15)12(3)16-14(5-2)11-17/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3/t12?,14-/m0/s1
InChIKeyBWHDMNHFHCKTRZ-PYMCNQPYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
CID 62496976
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 43207200
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
CID 114987094
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
(2R)-2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 103922580

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol (CID 104980899) is (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol is CCCOc1ccc(C(C)N[C@@H](CC)CO)cc1.
What is the InChIKey of (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol?
The InChIKey is BWHDMNHFHCKTRZ-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-10-18-15-8-6-13(7-9-15)12(3)16-14(5-2)11-17/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3/t12?,14-/m0/s1.
What are the key properties of (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol?
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 104980899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).