3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol

C15H26N2O2 — CID 66916342

IUPAC3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol
SMILESCCN(CC(N)CCO)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H26N2O2/c1-4-17(11-13(16)9-10-18)12(2)14-7-5-6-8-15(14)19-3/h5-8,12-13,18H,4,9-11,16H2,1-3H3/t12-,13?/m0/s1
InChIKeyHNEQDJVNVBMKGF-UEWDXFNNSA-N
MW266.38 g/mol
LogP1.79
Rot. Bonds8

About 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol

3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol (PubChem CID 66916342) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol
PubChem CID66916342
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol
SMILESCCN(CC(N)CCO)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H26N2O2/c1-4-17(11-13(16)9-10-18)12(2)14-7-5-6-8-15(14)19-3/h5-8,12-13,18H,4,9-11,16H2,1-3H3/t12-,13?/m0/s1
InChIKeyHNEQDJVNVBMKGF-UEWDXFNNSA-N
XLogP1.79
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 70921714
(2S)-2-N-tert-butyl-1-N-ethyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 58313578
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
CID 79481507
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
3-[1-(2,4-dimethoxyphenyl)ethyl-ethylamino]-2-methylpropanoic acid
CID 65062094
3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
CID 83830990

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol?
The IUPAC name of 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol (CID 66916342) is 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol?
The canonical SMILES for 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol is CCN(CC(N)CCO)[C@@H](C)c1ccccc1OC.
What is the InChIKey of 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol?
The InChIKey is HNEQDJVNVBMKGF-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-17(11-13(16)9-10-18)12(2)14-7-5-6-8-15(14)19-3/h5-8,12-13,18H,4,9-11,16H2,1-3H3/t12-,13?/m0/s1.
What are the key properties of 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol?
3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 66916342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).