(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol

C15H25NO3 — CID 171236808

IUPAC(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
SMILESCOc1cc(OC)cc([C@H](O)C[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)14(16)9-13(17)10-6-11(18-4)8-12(7-10)19-5/h6-8,13-14,17H,9,16H2,1-5H3/t13-,14+/m1/s1
InChIKeyUHCNCQKXPZGSCB-KGLIPLIRSA-N
MW267.37 g/mol
LogP2.50
Rot. Bonds5

About (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol

(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol (PubChem CID 171236808) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
PubChem CID171236808
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
SMILESCOc1cc(OC)cc([C@H](O)C[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)14(16)9-13(17)10-6-11(18-4)8-12(7-10)19-5/h6-8,13-14,17H,9,16H2,1-5H3/t13-,14+/m1/s1
InChIKeyUHCNCQKXPZGSCB-KGLIPLIRSA-N
XLogP2.50
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3R)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171237724
(1R,3R)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237725
(1S,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237267
4-[(1S,3R)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2,6-ditert-butylphenol;hydrochloride
CID 171237395
(1R,3S)-3-amino-4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-1-ol
CID 171236802
(1S,3R)-3-amino-1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237411
5-[(1R,3R)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2-methoxyphenol;hydrochloride
CID 171237715
5-[(1S,3S)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2-methoxyphenol;hydrochloride
CID 171237103
(1R,2S)-1-amino-1-(3,5-dimethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171160857
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
(1S,3S)-3-amino-1-(3-bromo-4-methoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237077
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol (CID 171236808) is (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol is COc1cc(OC)cc([C@H](O)C[C@H](N)C(C)(C)C)c1.
What is the InChIKey of (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol?
The InChIKey is UHCNCQKXPZGSCB-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)14(16)9-13(17)10-6-11(18-4)8-12(7-10)19-5/h6-8,13-14,17H,9,16H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol?
(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 171236808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).