1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine

C11H14ClNO — CID 117302343

IUPAC1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-14-13-7-8-2-5-10(9-3-4-9)11(12)6-8/h2,5-6,9,13H,3-4,7H2,1H3
InChIKeyBOICUKQATILRQQ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.87
Rot. Bonds4

About 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine

1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine (PubChem CID 117302343) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
PubChem CID117302343
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-14-13-7-8-2-5-10(9-3-4-9)11(12)6-8/h2,5-6,9,13H,3-4,7H2,1H3
InChIKeyBOICUKQATILRQQ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116
1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine
CID 117480345
1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
CID 117427939
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
1-(4-butan-2-yl-3-chlorophenyl)-N-methoxymethanamine
CID 117327954
N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
CID 117354255
O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
CID 117387845
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol
CID 117420897
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine (CID 117302343) is 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine is CONCc1ccc(C2CC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine?
The InChIKey is BOICUKQATILRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-13-7-8-2-5-10(9-3-4-9)11(12)6-8/h2,5-6,9,13H,3-4,7H2,1H3.
What are the key properties of 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine?
1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117302343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).