2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine

C15H21Cl2N — CID 81014836

IUPAC2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-2-3-10-4-7-15(18)13(8-10)12-9-11(16)5-6-14(12)17/h5-6,9-10,13,15H,2-4,7-8,18H2,1H3
InChIKeyVDFPIVJWZRXEPU-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.00
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine

2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine (PubChem CID 81014836) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
PubChem CID81014836
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-2-3-10-4-7-15(18)13(8-10)12-9-11(16)5-6-14(12)17/h5-6,9-10,13,15H,2-4,7-8,18H2,1H3
InChIKeyVDFPIVJWZRXEPU-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 81013313
2-naphthalen-1-yl-4-propylcyclohexan-1-amine
CID 81014619
2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403544
2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
CID 81146481
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine
CID 81014515
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81032114
2-[(4-chlorophenyl)methylsulfonyl]-4-propylcyclohexan-1-amine
CID 114792080
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
CID 114523496
2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020573

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine (CID 81014836) is 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine?
The InChIKey is VDFPIVJWZRXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-3-10-4-7-15(18)13(8-10)12-9-11(16)5-6-14(12)17/h5-6,9-10,13,15H,2-4,7-8,18H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine?
2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 81014836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).