[2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol

C11H16ClNO3 — CID 137382720

IUPAC[2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol
SMILESCOc1cccc(NC(CCl)OC)c1CO
InChIInChI=1S/C11H16ClNO3/c1-15-10-5-3-4-9(8(10)7-14)13-11(6-12)16-2/h3-5,11,13-14H,6-7H2,1-2H3
InChIKeyXQUSZJBZYZJCQJ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.81
Rot. Bonds6

About [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol

[2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol (PubChem CID 137382720) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol
PubChem CID137382720
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name[2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol
SMILESCOc1cccc(NC(CCl)OC)c1CO
InChIInChI=1S/C11H16ClNO3/c1-15-10-5-3-4-9(8(10)7-14)13-11(6-12)16-2/h3-5,11,13-14H,6-7H2,1-2H3
InChIKeyXQUSZJBZYZJCQJ-UHFFFAOYSA-N
XLogP1.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol?
The IUPAC name of [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol (CID 137382720) is [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol?
The canonical SMILES for [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol is COc1cccc(NC(CCl)OC)c1CO.
What is the InChIKey of [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol?
The InChIKey is XQUSZJBZYZJCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-15-10-5-3-4-9(8(10)7-14)13-11(6-12)16-2/h3-5,11,13-14H,6-7H2,1-2H3.
What are the key properties of [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol?
[2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol has a molecular weight of 245.71 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol is sourced from PubChem (CID 137382720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).