2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine

C16H23Cl2N — CID 83159242

IUPAC2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C16H23Cl2N/c1-11(2)19-10-16(3,12-7-8-12)9-13-14(17)5-4-6-15(13)18/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyLGHYZLKPHHSPCF-UHFFFAOYSA-N
MW300.27 g/mol
LogP4.95
Rot. Bonds6

About 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine

2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 83159242) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID83159242
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C16H23Cl2N/c1-11(2)19-10-16(3,12-7-8-12)9-13-14(17)5-4-6-15(13)18/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyLGHYZLKPHHSPCF-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159631
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159985
2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83159965
3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159961
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
CID 83159690
2-cyclopropyl-2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 83160149
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
2-cyclopropyl-2-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 83160239
3-cyclohexyl-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159871
2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159201
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
CID 83150500
3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553038

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 83159242) is 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)(Cc1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is LGHYZLKPHHSPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-11(2)19-10-16(3,12-7-8-12)9-13-14(17)5-4-6-15(13)18/h4-6,11-12,19H,7-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 83159242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).