1-[(octylamino)methyl]naphthalen-2-ol

C19H27NO — CID 44531481

IUPAC1-[(octylamino)methyl]naphthalen-2-ol
SMILESCCCCCCCCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C19H27NO/c1-2-3-4-5-6-9-14-20-15-18-17-11-8-7-10-16(17)12-13-19(18)21/h7-8,10-13,20-21H,2-6,9,14-15H2,1H3
InChIKeyNIWJAVGNBNVDNI-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.00
Rot. Bonds9

About 1-[(octylamino)methyl]naphthalen-2-ol

1-[(octylamino)methyl]naphthalen-2-ol (PubChem CID 44531481) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[(octylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(octylamino)methyl]naphthalen-2-ol
PubChem CID44531481
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[(octylamino)methyl]naphthalen-2-ol
SMILESCCCCCCCCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C19H27NO/c1-2-3-4-5-6-9-14-20-15-18-17-11-8-7-10-16(17)12-13-19(18)21/h7-8,10-13,20-21H,2-6,9,14-15H2,1H3
InChIKeyNIWJAVGNBNVDNI-UHFFFAOYSA-N
XLogP5.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(anthracen-9-ylmethyl)dodecan-1-amine
CID 101083896
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
CID 28720750
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
3-amino-2-[(pentylamino)methyl]phenol
CID 69382223
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338

Frequently Asked Questions

What is the IUPAC name of 1-[(octylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(octylamino)methyl]naphthalen-2-ol (CID 44531481) is 1-[(octylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(octylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(octylamino)methyl]naphthalen-2-ol is CCCCCCCCNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(octylamino)methyl]naphthalen-2-ol?
The InChIKey is NIWJAVGNBNVDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-3-4-5-6-9-14-20-15-18-17-11-8-7-10-16(17)12-13-19(18)21/h7-8,10-13,20-21H,2-6,9,14-15H2,1H3.
What are the key properties of 1-[(octylamino)methyl]naphthalen-2-ol?
1-[(octylamino)methyl]naphthalen-2-ol has a molecular weight of 285.43 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(octylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 44531481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).