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

C15H21Cl2N — CID 65084168

IUPAC1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(N)(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-14(2)6-3-7-15(18,9-8-14)12-10-11(16)4-5-13(12)17/h4-5,10H,3,6-9,18H2,1-2H3
InChIKeyMWXREFIPZOBFJS-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.14
Rot. Bonds1

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

1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65084168) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65084168
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(N)(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-14(2)6-3-7-15(18,9-8-14)12-10-11(16)4-5-13(12)17/h4-5,10H,3,6-9,18H2,1-2H3
InChIKeyMWXREFIPZOBFJS-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-Chlorophenyl)-2-methylpropan-2-amine--hydrogen chloride (1/1)
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1-(3-Chlorophenyl)cyclopentan-1-amine
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2-(4-Chlorophenyl)propan-2-amine hydrochloride
CID 45158337
2-(3-Chlorophenyl)propan-2-amine hydrochloride
CID 45158338
1-(3-Chlorophenyl)cyclopropan-1-amine hydrochloride
CID 50944239
1-(2-Chlorophenyl)cyclobutan-1-amine hydrochloride
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CID 75422175

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine (CID 65084168) is 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(N)(c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is MWXREFIPZOBFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-14(2)6-3-7-15(18,9-8-14)12-10-11(16)4-5-13(12)17/h4-5,10H,3,6-9,18H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine?
1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65084168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).