(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol

C17H17BrClNO — CID 156560216

IUPAC(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2ccc(-c3cccc(Br)c3Cl)cc2)C1
InChIInChI=1S/C17H17BrClNO/c18-16-3-1-2-15(17(16)19)13-6-4-12(5-7-13)10-20-9-8-14(21)11-20/h1-7,14,21H,8-11H2/t14-/m1/s1
InChIKeyYEBHKWVJDNMDGE-CQSZACIVSA-N
MW366.69 g/mol
LogP4.34
Rot. Bonds3

About (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol

(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 156560216) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID156560216
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2ccc(-c3cccc(Br)c3Cl)cc2)C1
InChIInChI=1S/C17H17BrClNO/c18-16-3-1-2-15(17(16)19)13-6-4-12(5-7-13)10-20-9-8-14(21)11-20/h1-7,14,21H,8-11H2/t14-/m1/s1
InChIKeyYEBHKWVJDNMDGE-CQSZACIVSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
N-(3-bromo-2-chlorophenyl)-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
CID 135156432
1-[[2-(3-bromo-2-chloroanilino)-4-pyridinyl]methyl]pyrrolidin-3-ol
CID 175067573
N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
CID 171934626
1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
CID 115903800
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
4-(2-chlorophenyl)-2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135966311

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol (CID 156560216) is (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol is O[C@@H]1CCN(Cc2ccc(-c3cccc(Br)c3Cl)cc2)C1.
What is the InChIKey of (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is YEBHKWVJDNMDGE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17BrClNO/c18-16-3-1-2-15(17(16)19)13-6-4-12(5-7-13)10-20-9-8-14(21)11-20/h1-7,14,21H,8-11H2/t14-/m1/s1.
What are the key properties of (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol?
(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 366.69 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 156560216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).