(2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol

C14H21NO2 — CID 143948432

IUPAC(2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol
SMILESCC[C@](O)(CN)c1cccc(OCC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-2-14(16,10-15)12-4-3-5-13(8-12)17-9-11-6-7-11/h3-5,8,11,16H,2,6-7,9-10,15H2,1H3/t14-/m0/s1
InChIKeyBANJWYOEDWNQNL-AWEZNQCLSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds6

About (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol

(2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol (PubChem CID 143948432) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol
PubChem CID143948432
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol
SMILESCC[C@](O)(CN)c1cccc(OCC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-2-14(16,10-15)12-4-3-5-13(8-12)17-9-11-6-7-11/h3-5,8,11,16H,2,6-7,9-10,15H2,1H3/t14-/m0/s1
InChIKeyBANJWYOEDWNQNL-AWEZNQCLSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84674408
1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 141350221
(2S)-1-amino-2-[3-[(3R)-oxolan-3-yl]oxyphenyl]butan-2-ol
CID 143948383
[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate
CID 134226868
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine
CID 163732576
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
CID 58452037
(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride
CID 70655533
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
CID 62917897
[3-(3-hydroxypentan-3-yl)phenyl] cyclohexanecarboxylate
CID 176725511

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol?
The IUPAC name of (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol (CID 143948432) is (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol.
What is the SMILES notation for (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol?
The canonical SMILES for (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol is CC[C@](O)(CN)c1cccc(OCC2CC2)c1.
What is the InChIKey of (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol?
The InChIKey is BANJWYOEDWNQNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-14(16,10-15)12-4-3-5-13(8-12)17-9-11-6-7-11/h3-5,8,11,16H,2,6-7,9-10,15H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol?
(2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 143948432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).