1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine

C14H19Cl2N — CID 64906804

IUPAC1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1c(Cl)cccc1Cl)CC1CC1
InChIInChI=1S/C14H19Cl2N/c1-2-17-11(8-10-6-7-10)9-12-13(15)4-3-5-14(12)16/h3-5,10-11,17H,2,6-9H2,1H3
InChIKeyWQCQFCKKVPRKMQ-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.31
Rot. Bonds6

About 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine

1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine (PubChem CID 64906804) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
PubChem CID64906804
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1c(Cl)cccc1Cl)CC1CC1
InChIInChI=1S/C14H19Cl2N/c1-2-17-11(8-10-6-7-10)9-12-13(15)4-3-5-14(12)16/h3-5,10-11,17H,2,6-9H2,1H3
InChIKeyWQCQFCKKVPRKMQ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128864
4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 79088008
1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65134967
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine (CID 64906804) is 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1c(Cl)cccc1Cl)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine?
The InChIKey is WQCQFCKKVPRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-17-11(8-10-6-7-10)9-12-13(15)4-3-5-14(12)16/h3-5,10-11,17H,2,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine?
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine has a molecular weight of 272.22 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 64906804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).