1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine

C16H23Cl2N — CID 63476982

IUPAC1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(Cl)c1Cl)C1CCCCC1
InChIInChI=1S/C16H23Cl2N/c1-2-15(12-7-4-3-5-8-12)19-11-13-9-6-10-14(17)16(13)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3
InChIKeyRARXQESLJUUVBK-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.44
Rot. Bonds5

About 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine

1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine (PubChem CID 63476982) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
PubChem CID63476982
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(Cl)c1Cl)C1CCCCC1
InChIInChI=1S/C16H23Cl2N/c1-2-15(12-7-4-3-5-8-12)19-11-13-9-6-10-14(17)16(13)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3
InChIKeyRARXQESLJUUVBK-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine (CID 63476982) is 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine is CCC(NCc1cccc(Cl)c1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is RARXQESLJUUVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-15(12-7-4-3-5-8-12)19-11-13-9-6-10-14(17)16(13)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine?
1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 63476982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).