[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine

C12H16ClNO — CID 54376856

IUPAC[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1ccc(C2(CN)CC2Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-15-10-5-3-9(4-6-10)12(8-14)7-11(12)13/h3-6,11H,2,7-8,14H2,1H3
InChIKeyUXCWEUSXRUCLQU-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.29
Rot. Bonds4

About [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine

[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine (PubChem CID 54376856) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine
PubChem CID54376856
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1ccc(C2(CN)CC2Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-15-10-5-3-9(4-6-10)12(8-14)7-11(12)13/h3-6,11H,2,7-8,14H2,1H3
InChIKeyUXCWEUSXRUCLQU-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
CID 113404750
[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008279
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 113404833
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016935
1-(4-ethoxyphenyl)cyclopent-3-en-1-amine
CID 65353108
1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83701496
[2-(4-ethoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358295
3-amino-1-(4-ethoxyphenyl)cyclopentan-1-ol
CID 80561943
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602
3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468333
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine (CID 54376856) is [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine is CCOc1ccc(C2(CN)CC2Cl)cc1.
What is the InChIKey of [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine?
The InChIKey is UXCWEUSXRUCLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-15-10-5-3-9(4-6-10)12(8-14)7-11(12)13/h3-6,11H,2,7-8,14H2,1H3.
What are the key properties of [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine?
[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 54376856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).