(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol

C21H29NO3 — CID 59655604

IUPAC(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol
SMILESCOc1ccc(CCCOc2ccc(CC[C@@](C)(N)CO)cc2)cc1
InChIInChI=1S/C21H29NO3/c1-21(22,16-23)14-13-18-7-11-20(12-8-18)25-15-3-4-17-5-9-19(24-2)10-6-17/h5-12,23H,3-4,13-16,22H2,1-2H3/t21-/m1/s1
InChIKeyJLKLCAZZUYTTTH-OAQYLSRUSA-N
MW343.47 g/mol
LogP3.35
Rot. Bonds10

About (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol

(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol (PubChem CID 59655604) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol
PubChem CID59655604
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol
SMILESCOc1ccc(CCCOc2ccc(CC[C@@](C)(N)CO)cc2)cc1
InChIInChI=1S/C21H29NO3/c1-21(22,16-23)14-13-18-7-11-20(12-8-18)25-15-3-4-17-5-9-19(24-2)10-6-17/h5-12,23H,3-4,13-16,22H2,1-2H3/t21-/m1/s1
InChIKeyJLKLCAZZUYTTTH-OAQYLSRUSA-N
XLogP3.35
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-methyl-4-(4-nonoxyphenyl)butan-1-ol
CID 132916636
(2R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]butan-1-ol;hydrochloride
CID 86606737
(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;hydrochloride
CID 45261292
2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol
CID 66768430
[(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutyl] dihydrogen phosphate
CID 59655591
1-[4-(2-amino-3-hydroxy-2-methylpropoxy)phenyl]-4-(4-methoxyphenyl)butan-1-one
CID 11152514
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-(4-methoxyphenyl)pentan-1-one
CID 22279678
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
2-amino-3-(4-butylphenoxy)-2-methylpropan-1-ol
CID 113322785
(2R)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylbutan-1-ol
CID 134817265

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol?
The IUPAC name of (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol (CID 59655604) is (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol is COc1ccc(CCCOc2ccc(CC[C@@](C)(N)CO)cc2)cc1.
What is the InChIKey of (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol?
The InChIKey is JLKLCAZZUYTTTH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29NO3/c1-21(22,16-23)14-13-18-7-11-20(12-8-18)25-15-3-4-17-5-9-19(24-2)10-6-17/h5-12,23H,3-4,13-16,22H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol?
(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol has a molecular weight of 343.47 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol is sourced from PubChem (CID 59655604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).