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

C15H21Cl2NO — CID 83155291

IUPAC2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
SMILESCCNC(c1cc(Cl)c(OC)cc1Cl)C(C)C1CC1
InChIInChI=1S/C15H21Cl2NO/c1-4-18-15(9(2)10-5-6-10)11-7-13(17)14(19-3)8-12(11)16/h7-10,15,18H,4-6H2,1-3H3
InChIKeyBNQNWAFXAHRVQD-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.70
Rot. Bonds6

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

2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine (PubChem CID 83155291) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
PubChem CID83155291
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
SMILESCCNC(c1cc(Cl)c(OC)cc1Cl)C(C)C1CC1
InChIInChI=1S/C15H21Cl2NO/c1-4-18-15(9(2)10-5-6-10)11-7-13(17)14(19-3)8-12(11)16/h7-10,15,18H,4-6H2,1-3H3
InChIKeyBNQNWAFXAHRVQD-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83155006
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43492728
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
2-cyclopropyl-1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 83154688
N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827158
2-cyclopropyl-1-(2,5-difluorophenyl)-N-ethylpropan-1-amine
CID 83153802
N-[(2,5-dichloro-4-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107961285
2-cyclopropyl-N-ethyl-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 83149804
N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine
CID 70851876
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine (CID 83155291) is 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine is CCNC(c1cc(Cl)c(OC)cc1Cl)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine?
The InChIKey is BNQNWAFXAHRVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-18-15(9(2)10-5-6-10)11-7-13(17)14(19-3)8-12(11)16/h7-10,15,18H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine?
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine has a molecular weight of 302.25 g/mol, XLogP of 4.70, 6 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-ethylpropan-1-amine is sourced from PubChem (CID 83155291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).