1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine

C13H18ClNO3 — CID 117432330

IUPAC1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Cl)cc(OC)c1OC1CCC1
InChIInChI=1S/C13H18ClNO3/c1-16-12-7-10(14)6-9(8-15-17-2)13(12)18-11-4-3-5-11/h6-7,11,15H,3-5,8H2,1-2H3
InChIKeyALZDPFUDBJYGMT-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.93
Rot. Bonds6

About 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine

1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117432330) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
PubChem CID117432330
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Cl)cc(OC)c1OC1CCC1
InChIInChI=1S/C13H18ClNO3/c1-16-12-7-10(14)6-9(8-15-17-2)13(12)18-11-4-3-5-11/h6-7,11,15H,3-5,8H2,1-2H3
InChIKeyALZDPFUDBJYGMT-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 104664869
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
CID 117481287
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075
2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
CID 117498947
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine
CID 2238645
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine (CID 117432330) is 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine is CONCc1cc(Cl)cc(OC)c1OC1CCC1.
What is the InChIKey of 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is ALZDPFUDBJYGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-16-12-7-10(14)6-9(8-15-17-2)13(12)18-11-4-3-5-11/h6-7,11,15H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine?
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 271.74 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117432330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).