(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol

C25H29NO3 — CID 46196212

IUPAC(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(OC3CC(COCc4ccccc4)C3)ccc2c1
InChIInChI=1S/C25H29NO3/c1-25(26,17-27)22-9-7-21-14-23(10-8-20(21)13-22)29-24-11-19(12-24)16-28-15-18-5-3-2-4-6-18/h2-10,13-14,19,24,27H,11-12,15-17,26H2,1H3/t19?,24?,25-/m0/s1
InChIKeyUERCLABZVJAKJP-GATLKJJBSA-N
MW391.51 g/mol
LogP4.38
Rot. Bonds8

About (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196212) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196212
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(OC3CC(COCc4ccccc4)C3)ccc2c1
InChIInChI=1S/C25H29NO3/c1-25(26,17-27)22-9-7-21-14-23(10-8-20(21)13-22)29-24-11-19(12-24)16-28-15-18-5-3-2-4-6-18/h2-10,13-14,19,24,27H,11-12,15-17,26H2,1H3/t19?,24?,25-/m0/s1
InChIKeyUERCLABZVJAKJP-GATLKJJBSA-N
XLogP4.38
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196153
2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol
CID 67531962
(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196243
ditert-butyl [2-methyl-4-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]-5H-1,3-oxazol-4-yl]methyl phosphate
CID 67531082
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
CID 166118396
2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol
CID 67530147
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol (CID 46196212) is (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2cc(OC3CC(COCc4ccccc4)C3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is UERCLABZVJAKJP-GATLKJJBSA-N. The full InChI is InChI=1S/C25H29NO3/c1-25(26,17-27)22-9-7-21-14-23(10-8-20(21)13-22)29-24-11-19(12-24)16-28-15-18-5-3-2-4-6-18/h2-10,13-14,19,24,27H,11-12,15-17,26H2,1H3/t19?,24?,25-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 391.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).