(1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol

C14H21NO — CID 129389562

IUPAC(1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol
SMILESCN(C)c1ccc(CC[C@@H](O)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-15(2)13-8-3-11(4-9-13)5-10-14(16)12-6-7-12/h3-4,8-9,12,14,16H,5-7,10H2,1-2H3/t14-/m1/s1
InChIKeyDIKQLKHBEBXXCV-CQSZACIVSA-N
MW219.33 g/mol
LogP2.46
Rot. Bonds5

About (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol

(1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol (PubChem CID 129389562) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol
PubChem CID129389562
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol
SMILESCN(C)c1ccc(CC[C@@H](O)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-15(2)13-8-3-11(4-9-13)5-10-14(16)12-6-7-12/h3-4,8-9,12,14,16H,5-7,10H2,1-2H3/t14-/m1/s1
InChIKeyDIKQLKHBEBXXCV-CQSZACIVSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol (CID 129389562) is (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol is CN(C)c1ccc(CC[C@@H](O)C2CC2)cc1.
What is the InChIKey of (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol?
The InChIKey is DIKQLKHBEBXXCV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO/c1-15(2)13-8-3-11(4-9-13)5-10-14(16)12-6-7-12/h3-4,8-9,12,14,16H,5-7,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol?
(1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol is sourced from PubChem (CID 129389562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).