1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol

C16H24N2O — CID 69193657

IUPAC1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
SMILESCNC1CCc2cc(CN3CCC(O)C3)ccc2C1
InChIInChI=1S/C16H24N2O/c1-17-15-5-4-13-8-12(2-3-14(13)9-15)10-18-7-6-16(19)11-18/h2-3,8,15-17,19H,4-7,9-11H2,1H3
InChIKeyMPIWLGCLUWNXDX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.33
Rot. Bonds3

About 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol

1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 69193657) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
PubChem CID69193657
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
SMILESCNC1CCc2cc(CN3CCC(O)C3)ccc2C1
InChIInChI=1S/C16H24N2O/c1-17-15-5-4-13-8-12(2-3-14(13)9-15)10-18-7-6-16(19)11-18/h2-3,8,15-17,19H,4-7,9-11H2,1H3
InChIKeyMPIWLGCLUWNXDX-UHFFFAOYSA-N
XLogP1.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
N-methyl-6-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 69193953
6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 173179441
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
CID 80676340
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66663465
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
1-[[4-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 62941360
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol (CID 69193657) is 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol is CNC1CCc2cc(CN3CCC(O)C3)ccc2C1.
What is the InChIKey of 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is MPIWLGCLUWNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-15-5-4-13-8-12(2-3-14(13)9-15)10-18-7-6-16(19)11-18/h2-3,8,15-17,19H,4-7,9-11H2,1H3.
What are the key properties of 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol?
1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 260.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 69193657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).