(1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol

C17H27NO2 — CID 25255799

IUPAC(1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol
SMILESC[C@@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-13(11-18)17(19)15-8-5-9-16(10-15)20-12-14-6-3-2-4-7-14/h5,8-10,13-14,17,19H,2-4,6-7,11-12,18H2,1H3/t13-,17+/m0/s1
InChIKeyUZBSFEKGBAIRRT-SUMWQHHRSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds6

About (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol

(1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol (PubChem CID 25255799) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol
PubChem CID25255799
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol
SMILESC[C@@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-13(11-18)17(19)15-8-5-9-16(10-15)20-12-14-6-3-2-4-7-14/h5,8-10,13-14,17,19H,2-4,6-7,11-12,18H2,1H3/t13-,17+/m0/s1
InChIKeyUZBSFEKGBAIRRT-SUMWQHHRSA-N
XLogP3.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol?
The IUPAC name of (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol (CID 25255799) is (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol is C[C@@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol?
The InChIKey is UZBSFEKGBAIRRT-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(11-18)17(19)15-8-5-9-16(10-15)20-12-14-6-3-2-4-7-14/h5,8-10,13-14,17,19H,2-4,6-7,11-12,18H2,1H3/t13-,17+/m0/s1.
What are the key properties of (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol?
(1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 25255799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).