1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine

C17H25Cl2N — CID 115839945

IUPAC1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1Cl)CC1CCCCCC1
InChIInChI=1S/C17H25Cl2N/c1-20-16(10-13-6-4-2-3-5-7-13)11-14-8-9-15(18)12-17(14)19/h8-9,12-13,16,20H,2-7,10-11H2,1H3
InChIKeyQKDUTLROWUCOHD-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.48
Rot. Bonds5

About 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine

1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine (PubChem CID 115839945) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
PubChem CID115839945
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1Cl)CC1CCCCCC1
InChIInChI=1S/C17H25Cl2N/c1-20-16(10-13-6-4-2-3-5-7-13)11-14-8-9-15(18)12-17(14)19/h8-9,12-13,16,20H,2-7,10-11H2,1H3
InChIKeyQKDUTLROWUCOHD-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 62601524
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 65459954
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine (CID 115839945) is 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(Cl)cc1Cl)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The InChIKey is QKDUTLROWUCOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-20-16(10-13-6-4-2-3-5-7-13)11-14-8-9-15(18)12-17(14)19/h8-9,12-13,16,20H,2-7,10-11H2,1H3.
What are the key properties of 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine has a molecular weight of 314.30 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 115839945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).