1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol

C18H23NO — CID 115758703

IUPAC1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1Cc1cccc2ccccc12
InChIInChI=1S/C18H23NO/c1-14(20)12-17-9-5-11-19(17)13-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,14,17,20H,5,9,11-13H2,1H3
InChIKeyATJFQCOLXWBXRN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol

1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 115758703) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID115758703
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1Cc1cccc2ccccc12
InChIInChI=1S/C18H23NO/c1-14(20)12-17-9-5-11-19(17)13-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,14,17,20H,5,9,11-13H2,1H3
InChIKeyATJFQCOLXWBXRN-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893
1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol
CID 114337925
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 114338611
1-[1-(1-benzothiophen-3-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338668
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
(2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 177378706
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 22744770

Frequently Asked Questions

What is the IUPAC name of 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol (CID 115758703) is 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1Cc1cccc2ccccc12.
What is the InChIKey of 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is ATJFQCOLXWBXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(20)12-17-9-5-11-19(17)13-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,14,17,20H,5,9,11-13H2,1H3.
What are the key properties of 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 115758703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).