(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol

C15H25NO3 — CID 28724580

IUPAC(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-13(10-17)16-9-12-6-7-14(19-11(2)3)15(8-12)18-4/h6-8,11,13,16-17H,5,9-10H2,1-4H3/t13-/m0/s1
InChIKeyDYYOWDVAJGBOHG-ZDUSSCGKSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

About (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol

(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol (PubChem CID 28724580) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
PubChem CID28724580
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-13(10-17)16-9-12-6-7-14(19-11(2)3)15(8-12)18-4/h6-8,11,13,16-17H,5,9-10H2,1-4H3/t13-/m0/s1
InChIKeyDYYOWDVAJGBOHG-ZDUSSCGKSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 4722284
(2S)-2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 40726397
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719355
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 17292093
(2R)-2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol (CID 28724580) is (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The InChIKey is DYYOWDVAJGBOHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-13(10-17)16-9-12-6-7-14(19-11(2)3)15(8-12)18-4/h6-8,11,13,16-17H,5,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol?
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 28724580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).