(benzylamino)-methoxymethanol

C9H13NO2 — CID 154551883

IUPAC(benzylamino)-methoxymethanol
SMILESCOC(O)NCc1ccccc1
InChIInChI=1S/C9H13NO2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
InChIKeyOMVDBQIWESTLRW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.70
Rot. Bonds4

About (benzylamino)-methoxymethanol

(benzylamino)-methoxymethanol (PubChem CID 154551883) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (benzylamino)-methoxymethanol.

Molecular Properties

Compound Name(benzylamino)-methoxymethanol
PubChem CID154551883
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(benzylamino)-methoxymethanol
SMILESCOC(O)NCc1ccccc1
InChIInChI=1S/C9H13NO2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
InChIKeyOMVDBQIWESTLRW-UHFFFAOYSA-N
XLogP0.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-(benzylamino)propanedioate
CID 562185
methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol
CID 156733135
4-(benzylamino)hexan-3-ol
CID 123502120
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
CID 67427493
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
methyl (2R)-2-(benzylamino)-3-sulfanylpropanoate
CID 21155893
methyl 3-(benzylamino)butanoate
CID 13416927
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
(3S,4R)-3-(benzylamino)-4-methoxyhexan-2-one
CID 95048845
N-benzyl-4-chloro-1-methoxybutan-2-amine
CID 106152824

Frequently Asked Questions

What is the IUPAC name of (benzylamino)-methoxymethanol?
The IUPAC name of (benzylamino)-methoxymethanol (CID 154551883) is (benzylamino)-methoxymethanol.
What is the SMILES notation for (benzylamino)-methoxymethanol?
The canonical SMILES for (benzylamino)-methoxymethanol is COC(O)NCc1ccccc1.
What is the InChIKey of (benzylamino)-methoxymethanol?
The InChIKey is OMVDBQIWESTLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3.
What are the key properties of (benzylamino)-methoxymethanol?
(benzylamino)-methoxymethanol has a molecular weight of 167.21 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylamino)-methoxymethanol is sourced from PubChem (CID 154551883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).