1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

C17H25Cl2N — CID 65424192

IUPAC1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(c1cc(Cl)ccc1Cl)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H25Cl2N/c1-11(2)12-4-6-13(7-5-12)17(20-3)15-10-14(18)8-9-16(15)19/h8-13,17,20H,4-7H2,1-3H3
InChIKeyPYSYSVOLKOJEAD-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.72
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 65424192) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID65424192
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(c1cc(Cl)ccc1Cl)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H25Cl2N/c1-11(2)12-4-6-13(7-5-12)17(20-3)15-10-14(18)8-9-16(15)19/h8-13,17,20H,4-7H2,1-3H3
InChIKeyPYSYSVOLKOJEAD-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2,5-dichlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232515
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105394836
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 81045986
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 107476202
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
[(4-chloro-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232537
1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 63710100
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397031

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (CID 65424192) is 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is CNC(c1cc(Cl)ccc1Cl)C1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is PYSYSVOLKOJEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-11(2)12-4-6-13(7-5-12)17(20-3)15-10-14(18)8-9-16(15)19/h8-13,17,20H,4-7H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 314.30 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 65424192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).