2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine

C14H19Cl2NO — CID 83155006

IUPAC2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)C(C)C1CC1
InChIInChI=1S/C14H19Cl2NO/c1-8(9-4-5-9)14(17-2)10-6-12(16)13(18-3)7-11(10)15/h6-9,14,17H,4-5H2,1-3H3
InChIKeyDDFPVSBCHLPWNQ-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.31
Rot. Bonds5

About 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine

2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 83155006) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID83155006
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)C(C)C1CC1
InChIInChI=1S/C14H19Cl2NO/c1-8(9-4-5-9)14(17-2)10-6-12(16)13(18-3)7-11(10)15/h6-9,14,17H,4-5H2,1-3H3
InChIKeyDDFPVSBCHLPWNQ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
CID 83155291
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 83155274
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910
1-(2,5-dichloro-4-methoxyphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 104519095
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390
N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine
CID 70851876
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722171
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116914633
5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
CID 43362759
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine (CID 83155006) is 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine is CNC(c1cc(Cl)c(OC)cc1Cl)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is DDFPVSBCHLPWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-8(9-4-5-9)14(17-2)10-6-12(16)13(18-3)7-11(10)15/h6-9,14,17H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine?
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 83155006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).