2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine

C13H17Cl2N — CID 107309812

IUPAC2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H17Cl2N/c1-13(8-16,10-5-6-10)7-9-3-2-4-11(14)12(9)15/h2-4,10H,5-8,16H2,1H3
InChIKeyTWNZQTXWODXIBU-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.91
Rot. Bonds4

About 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine

2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine (PubChem CID 107309812) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
PubChem CID107309812
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H17Cl2N/c1-13(8-16,10-5-6-10)7-9-3-2-4-11(14)12(9)15/h2-4,10H,5-8,16H2,1H3
InChIKeyTWNZQTXWODXIBU-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107309951
3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148617
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene
CID 83151174
3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
CID 107310643
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
CID 107307083
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747889
1-amino-3-(3-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 102857003
1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
1-[(2-bromo-5-tert-butylcyclohexyl)methyl]-2,3-dichlorobenzene
CID 107309494
1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112653170

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine (CID 107309812) is 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine is CC(CN)(Cc1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine?
The InChIKey is TWNZQTXWODXIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-13(8-16,10-5-6-10)7-9-3-2-4-11(14)12(9)15/h2-4,10H,5-8,16H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine?
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 107309812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).