CID 164877264

C10H14BNO2 — CID 164877264

IUPAC—
SMILES[B]c1ccc(OCC(N)COC)cc1
InChIInChI=1S/C10H14BNO2/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9H,6-7,12H2,1H3
InChIKeyASJPYBIIXGVGEF-UHFFFAOYSA-N
MW191.04 g/mol
LogP-0.17
Rot. Bonds5

About CID 164877264

CID 164877264 (PubChem CID 164877264) has the molecular formula C10H14BNO2 and a molecular weight of 191.04 g/mol.

Molecular Properties

Compound NameCID 164877264
PubChem CID164877264
Molecular FormulaC10H14BNO2
Molecular Weight191.04 g/mol
Exact Mass191.11
IUPAC Name—
SMILES[B]c1ccc(OCC(N)COC)cc1
InChIInChI=1S/C10H14BNO2/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9H,6-7,12H2,1H3
InChIKeyASJPYBIIXGVGEF-UHFFFAOYSA-N
XLogP-0.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(4-phenoxyphenoxy)propan-2-amine
CID 107506606
1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine
CID 107506531
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
1-(4-chlorophenoxy)-3-propoxypropan-2-amine
CID 105165280
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
3-amino-4-(4-propoxyphenoxy)butan-1-ol
CID 64899439
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612
1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine
CID 107506506
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163

Frequently Asked Questions

What is the IUPAC name of CID 164877264?
The IUPAC name of CID 164877264 (CID 164877264) is not available.
What is the SMILES notation for CID 164877264?
The canonical SMILES for CID 164877264 is [B]c1ccc(OCC(N)COC)cc1.
What is the InChIKey of CID 164877264?
The InChIKey is ASJPYBIIXGVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO2/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9H,6-7,12H2,1H3.
What are the key properties of CID 164877264?
CID 164877264 has a molecular weight of 191.04 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164877264 is sourced from PubChem (CID 164877264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).