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

C16H23Cl2N — CID 81026756

IUPACN-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N/c1-2-10-19-11-12-6-3-4-7-13(12)14-8-5-9-15(17)16(14)18/h5,8-9,12-13,19H,2-4,6-7,10-11H2,1H3
InChIKeyPZRNDLKWMDXOON-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.27
Rot. Bonds5

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

N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81026756) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81026756
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N/c1-2-10-19-11-12-6-3-4-7-13(12)14-8-5-9-15(17)16(14)18/h5,8-9,12-13,19H,2-4,6-7,10-11H2,1H3
InChIKeyPZRNDLKWMDXOON-UHFFFAOYSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
CID 81025276
N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639
N-[(2-naphthalen-1-ylcyclopentyl)methyl]propan-1-amine
CID 81033533
N-[[2-[(2,6-dichlorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027643
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 82791683
N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
CID 81027499
N-[[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102864466
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine (CID 81026756) is N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1c1cccc(Cl)c1Cl.
What is the InChIKey of N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is PZRNDLKWMDXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-10-19-11-12-6-3-4-7-13(12)14-8-5-9-15(17)16(14)18/h5,8-9,12-13,19H,2-4,6-7,10-11H2,1H3.
What are the key properties of N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81026756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).