[(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol

C18H22N2O — CID 144715838

IUPAC[(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol
SMILESNc1ccc(CC2CC[C@H](C(O)c3ccccc3)N2)cc1
InChIInChI=1S/C18H22N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,16-18,20-21H,10-12,19H2/t16?,17-,18?/m1/s1
InChIKeyCBVGYKIYIAYXTO-LXPRWKDFSA-N
MW282.39 g/mol
LogP2.67
Rot. Bonds4

About [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol

[(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol (PubChem CID 144715838) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol
PubChem CID144715838
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol
SMILESNc1ccc(CC2CC[C@H](C(O)c3ccccc3)N2)cc1
InChIInChI=1S/C18H22N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,16-18,20-21H,10-12,19H2/t16?,17-,18?/m1/s1
InChIKeyCBVGYKIYIAYXTO-LXPRWKDFSA-N
XLogP2.67
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol
CID 70060548
N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 70656079
[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 50997467
(2S)-N-[4-[[(2S)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-2-(3-methyl-1,2,4-triazol-1-yl)propanamide
CID 146321118
4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 123824767
8-[4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]benzoyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 77441310
(3S)-N-[4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxamide
CID 66939400
[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-(5-pyrazol-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 67972238
N-[(3-fluoro-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 50996053
N-[4-[[(2R,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 156535534
4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylbenzamide
CID 123572605
N-[4-[[(5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 156758057

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol?
The IUPAC name of [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol (CID 144715838) is [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol.
What is the SMILES notation for [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol?
The canonical SMILES for [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol is Nc1ccc(CC2CC[C@H](C(O)c3ccccc3)N2)cc1.
What is the InChIKey of [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol?
The InChIKey is CBVGYKIYIAYXTO-LXPRWKDFSA-N. The full InChI is InChI=1S/C18H22N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,16-18,20-21H,10-12,19H2/t16?,17-,18?/m1/s1.
What are the key properties of [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol?
[(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol has a molecular weight of 282.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol is sourced from PubChem (CID 144715838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).