N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine

C15H22ClNO2 — CID 63631896

IUPACN-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-4-7-17-9-10-8-12(10)11-5-6-13(18-2)15(19-3)14(11)16/h5-6,10,12,17H,4,7-9H2,1-3H3
InChIKeyANENUENTMNFGBO-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.46
Rot. Bonds7

About N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine

N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 63631896) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID63631896
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-4-7-17-9-10-8-12(10)11-5-6-13(18-2)15(19-3)14(11)16/h5-6,10,12,17H,4,7-9H2,1-3H3
InChIKeyANENUENTMNFGBO-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine (CID 63631896) is N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1c1ccc(OC)c(OC)c1Cl.
What is the InChIKey of N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is ANENUENTMNFGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-7-17-9-10-8-12(10)11-5-6-13(18-2)15(19-3)14(11)16/h5-6,10,12,17H,4,7-9H2,1-3H3.
What are the key properties of N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine?
N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 63631896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).