(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol

C14H20BrNO — CID 63370691

IUPAC(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)C2CCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-10(17)11-7-8-14(13(15)9-11)16(2)12-5-3-4-6-12/h7-10,12,17H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyDDRCCEIYZJRNFB-SNVBAGLBSA-N
MW298.22 g/mol
LogP3.88
Rot. Bonds3

About (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol

(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol (PubChem CID 63370691) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
PubChem CID63370691
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)C2CCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-10(17)11-7-8-14(13(15)9-11)16(2)12-5-3-4-6-12/h7-10,12,17H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyDDRCCEIYZJRNFB-SNVBAGLBSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63540480
1-[3-bromo-4-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82741897
1-[3-bromo-4-[cyclobutylmethyl(methyl)amino]phenyl]ethanol
CID 62912014
2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide
CID 62908195
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
CID 63371697
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869
2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine
CID 174746567
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]propan-1-ol
CID 104552647
(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol
CID 63371082
(1S)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79319971

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol (CID 63370691) is (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol is C[C@@H](O)c1ccc(N(C)C2CCCC2)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol?
The InChIKey is DDRCCEIYZJRNFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(17)11-7-8-14(13(15)9-11)16(2)12-5-3-4-6-12/h7-10,12,17H,3-6H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol?
(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol has a molecular weight of 298.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 63370691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).