(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol

C13H19NO — CID 95002836

IUPAC(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
SMILESC[C@@H](O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1
InChIInChI=1S/C13H19NO/c1-9(15)12-8-13(12)10-4-6-11(7-5-10)14(2)3/h4-7,9,12-13,15H,8H2,1-3H3/t9-,12+,13-/m1/s1
InChIKeyNOLYNJCKOXZVCZ-JIMOISOXSA-N
MW205.30 g/mol
LogP2.24
Rot. Bonds3

About (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol

(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol (PubChem CID 95002836) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
PubChem CID95002836
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
SMILESC[C@@H](O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1
InChIInChI=1S/C13H19NO/c1-9(15)12-8-13(12)10-4-6-11(7-5-10)14(2)3/h4-7,9,12-13,15H,8H2,1-3H3/t9-,12+,13-/m1/s1
InChIKeyNOLYNJCKOXZVCZ-JIMOISOXSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
CID 28912216
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
CID 124747303
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
1-(2-thiophen-3-ylcyclopropyl)ethanol
CID 53275681
cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol
CID 26595121
N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide
CID 166826538
(1S)-1-[(1R,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552588
(1R)-1-[(1S,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124669183
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 124744909

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol (CID 95002836) is (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol is C[C@@H](O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1.
What is the InChIKey of (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol?
The InChIKey is NOLYNJCKOXZVCZ-JIMOISOXSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(15)12-8-13(12)10-4-6-11(7-5-10)14(2)3/h4-7,9,12-13,15H,8H2,1-3H3/t9-,12+,13-/m1/s1.
What are the key properties of (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol?
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol has a molecular weight of 205.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol is sourced from PubChem (CID 95002836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).