1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol

C22H33NO2 — CID 19767612

IUPAC1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol
SMILESCCCCCCNCC(O)CC(CC)Oc1ccc2ccccc2c1
InChIInChI=1S/C22H33NO2/c1-3-5-6-9-14-23-17-20(24)16-21(4-2)25-22-13-12-18-10-7-8-11-19(18)15-22/h7-8,10-13,15,20-21,23-24H,3-6,9,14,16-17H2,1-2H3
InChIKeyCTEIDXURPZCGHE-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.92
Rot. Bonds12

About 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol

1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol (PubChem CID 19767612) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol.

Molecular Properties

Compound Name1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol
PubChem CID19767612
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol
SMILESCCCCCCNCC(O)CC(CC)Oc1ccc2ccccc2c1
InChIInChI=1S/C22H33NO2/c1-3-5-6-9-14-23-17-20(24)16-21(4-2)25-22-13-12-18-10-7-8-11-19(18)15-22/h7-8,10-13,15,20-21,23-24H,3-6,9,14,16-17H2,1-2H3
InChIKeyCTEIDXURPZCGHE-UHFFFAOYSA-N
XLogP4.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
CID 11609028
N-(2-methylpropyl)-5-naphthalen-2-yloxypentan-1-amine
CID 63498763
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
1-(octadecylamino)butan-2-ol
CID 174541083
5-naphthalen-2-yloxyheptan-1-amine
CID 68866838
4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
CID 112519133
(2S)-1-(hexylamino)-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 2089097
3-hydroxy-4-(octadecylamino)butanoic acid
CID 87708231
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912

Frequently Asked Questions

What is the IUPAC name of 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol?
The IUPAC name of 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol (CID 19767612) is 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol.
What is the SMILES notation for 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol?
The canonical SMILES for 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol is CCCCCCNCC(O)CC(CC)Oc1ccc2ccccc2c1.
What is the InChIKey of 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol?
The InChIKey is CTEIDXURPZCGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-3-5-6-9-14-23-17-20(24)16-21(4-2)25-22-13-12-18-10-7-8-11-19(18)15-22/h7-8,10-13,15,20-21,23-24H,3-6,9,14,16-17H2,1-2H3.
What are the key properties of 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol?
1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol has a molecular weight of 343.51 g/mol, XLogP of 4.92, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol is sourced from PubChem (CID 19767612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).