1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol

C18H23NO — CID 81394953

IUPAC1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol
SMILESC[C@@H](NCc1c(O)ccc2ccccc12)C1CCCC1
InChIInChI=1S/C18H23NO/c1-13(14-6-2-3-7-14)19-12-17-16-9-5-4-8-15(16)10-11-18(17)20/h4-5,8-11,13-14,19-20H,2-3,6-7,12H2,1H3/t13-/m1/s1
InChIKeyYSUSJBGSMGUUFZ-CYBMUJFWSA-N
MW269.39 g/mol
LogP4.21
Rot. Bonds4

About 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol

1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol (PubChem CID 81394953) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol
PubChem CID81394953
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol
SMILESC[C@@H](NCc1c(O)ccc2ccccc12)C1CCCC1
InChIInChI=1S/C18H23NO/c1-13(14-6-2-3-7-14)19-12-17-16-9-5-4-8-15(16)10-11-18(17)20/h4-5,8-11,13-14,19-20H,2-3,6-7,12H2,1H3/t13-/m1/s1
InChIKeyYSUSJBGSMGUUFZ-CYBMUJFWSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[[(1R)-1-cyclohexylethyl]amino]methyl]naphthalen-2-ol
CID 81388297
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
3-chloro-2-[(1-cyclohexylethylamino)methyl]phenol
CID 79032182
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol
CID 103700917
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730932
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
CID 28683496
1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol
CID 28643983
2-[(1-cyclohexylethylamino)methyl]-6-methylpyridin-3-ol
CID 79032200
1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531472
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol (CID 81394953) is 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol is C[C@@H](NCc1c(O)ccc2ccccc12)C1CCCC1.
What is the InChIKey of 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol?
The InChIKey is YSUSJBGSMGUUFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(14-6-2-3-7-14)19-12-17-16-9-5-4-8-15(16)10-11-18(17)20/h4-5,8-11,13-14,19-20H,2-3,6-7,12H2,1H3/t13-/m1/s1.
What are the key properties of 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol?
1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol has a molecular weight of 269.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 81394953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).