2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol

C20H21NO2 — CID 67530457

IUPAC2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol
SMILESCc1ccc(Oc2ccc3cc(C(C)(N)CO)ccc3c2)cc1
InChIInChI=1S/C20H21NO2/c1-14-3-8-18(9-4-14)23-19-10-6-15-11-17(20(2,21)13-22)7-5-16(15)12-19/h3-12,22H,13,21H2,1-2H3
InChIKeySBNIXTVPHLHAFE-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.11
Rot. Bonds4

About 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol

2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol (PubChem CID 67530457) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol
PubChem CID67530457
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol
SMILESCc1ccc(Oc2ccc3cc(C(C)(N)CO)ccc3c2)cc1
InChIInChI=1S/C20H21NO2/c1-14-3-8-18(9-4-14)23-19-10-6-15-11-17(20(2,21)13-22)7-5-16(15)12-19/h3-12,22H,13,21H2,1-2H3
InChIKeySBNIXTVPHLHAFE-UHFFFAOYSA-N
XLogP4.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol
CID 46196317
2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol
CID 67531962
2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol
CID 67530147
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196242
(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196262
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 143188431
3-amino-3-naphthalen-2-ylbutan-1-ol
CID 65239621
3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine
CID 142070929
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196153
1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 58413473

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol?
The IUPAC name of 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol (CID 67530457) is 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol is Cc1ccc(Oc2ccc3cc(C(C)(N)CO)ccc3c2)cc1.
What is the InChIKey of 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol?
The InChIKey is SBNIXTVPHLHAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14-3-8-18(9-4-14)23-19-10-6-15-11-17(20(2,21)13-22)7-5-16(15)12-19/h3-12,22H,13,21H2,1-2H3.
What are the key properties of 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol?
2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol has a molecular weight of 307.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 67530457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).