(naphthalen-1-yloxymethylamino)methanol

C12H13NO2 — CID 54336494

IUPAC(naphthalen-1-yloxymethylamino)methanol
SMILESOCNCOc1cccc2ccccc12
InChIInChI=1S/C12H13NO2/c14-8-13-9-15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2
InChIKeyQVIUZGOUZUGMSM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.72
Rot. Bonds4

About (naphthalen-1-yloxymethylamino)methanol

(naphthalen-1-yloxymethylamino)methanol (PubChem CID 54336494) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (naphthalen-1-yloxymethylamino)methanol.

Molecular Properties

Compound Name(naphthalen-1-yloxymethylamino)methanol
PubChem CID54336494
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(naphthalen-1-yloxymethylamino)methanol
SMILESOCNCOc1cccc2ccccc12
InChIInChI=1S/C12H13NO2/c14-8-13-9-15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2
InChIKeyQVIUZGOUZUGMSM-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;naphthalen-1-yloxymethanol
CID 70447137
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
2-naphthalen-1-yloxyethyl 3-oxopropanoate
CID 23049691
1-(3-chloropropoxy)naphthalene
CID 12685615
lithium;1-ethoxynaphthalene;hydride
CID 174613942
2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-(3-naphthalen-1-yloxypropyl)guanidine
CID 95456191
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
methylamino(naphthalen-1-yloxy)methanol
CID 173197602

Frequently Asked Questions

What is the IUPAC name of (naphthalen-1-yloxymethylamino)methanol?
The IUPAC name of (naphthalen-1-yloxymethylamino)methanol (CID 54336494) is (naphthalen-1-yloxymethylamino)methanol.
What is the SMILES notation for (naphthalen-1-yloxymethylamino)methanol?
The canonical SMILES for (naphthalen-1-yloxymethylamino)methanol is OCNCOc1cccc2ccccc12.
What is the InChIKey of (naphthalen-1-yloxymethylamino)methanol?
The InChIKey is QVIUZGOUZUGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-8-13-9-15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2.
What are the key properties of (naphthalen-1-yloxymethylamino)methanol?
(naphthalen-1-yloxymethylamino)methanol has a molecular weight of 203.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (naphthalen-1-yloxymethylamino)methanol is sourced from PubChem (CID 54336494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).