2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol

C21H21NO — CID 141365807

IUPAC2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol
SMILESOc1c([C@@H](c2ccccc2)N2CCCC2)ccc2ccccc12
InChIInChI=1S/C21H21NO/c23-21-18-11-5-4-8-16(18)12-13-19(21)20(22-14-6-7-15-22)17-9-2-1-3-10-17/h1-5,8-13,20,23H,6-7,14-15H2/t20-/m1/s1
InChIKeyQTHBCDAKDPGRMA-HXUWFJFHSA-N
MW303.41 g/mol
LogP4.73
Rot. Bonds3

About 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol

2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol (PubChem CID 141365807) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol
PubChem CID141365807
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol
SMILESOc1c([C@@H](c2ccccc2)N2CCCC2)ccc2ccccc12
InChIInChI=1S/C21H21NO/c23-21-18-11-5-4-8-16(18)12-13-19(21)20(22-14-6-7-15-22)17-9-2-1-3-10-17/h1-5,8-13,20,23H,6-7,14-15H2/t20-/m1/s1
InChIKeyQTHBCDAKDPGRMA-HXUWFJFHSA-N
XLogP4.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
CID 135025792
4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
CID 3843964
2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol
CID 82958965
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
CID 45378573
4-[(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethyl]benzonitrile
CID 91273590
1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
CID 67763745
5,11,17,23-tetratert-butyl-26,28-bis[2-[1-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-2-yl]oxyethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 50994172
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol (CID 141365807) is 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol is Oc1c([C@@H](c2ccccc2)N2CCCC2)ccc2ccccc12.
What is the InChIKey of 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol?
The InChIKey is QTHBCDAKDPGRMA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21NO/c23-21-18-11-5-4-8-16(18)12-13-19(21)20(22-14-6-7-15-22)17-9-2-1-3-10-17/h1-5,8-13,20,23H,6-7,14-15H2/t20-/m1/s1.
What are the key properties of 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol?
2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol has a molecular weight of 303.41 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol is sourced from PubChem (CID 141365807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).