1-(3,4-dichlorophenyl)cycloheptan-1-amine

C13H17Cl2N — CID 43164287

IUPAC1-(3,4-dichlorophenyl)cycloheptan-1-amine
SMILESNC1(c2ccc(Cl)c(Cl)c2)CCCCCC1
InChIInChI=1S/C13H17Cl2N/c14-11-6-5-10(9-12(11)15)13(16)7-3-1-2-4-8-13/h5-6,9H,1-4,7-8,16H2
InChIKeyDBHMLYRQYZKWOH-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.50
Rot. Bonds1

About 1-(3,4-dichlorophenyl)cycloheptan-1-amine

1-(3,4-dichlorophenyl)cycloheptan-1-amine (PubChem CID 43164287) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)cycloheptan-1-amine
PubChem CID43164287
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-(3,4-dichlorophenyl)cycloheptan-1-amine
SMILESNC1(c2ccc(Cl)c(Cl)c2)CCCCCC1
InChIInChI=1S/C13H17Cl2N/c14-11-6-5-10(9-12(11)15)13(16)7-3-1-2-4-8-13/h5-6,9H,1-4,7-8,16H2
InChIKeyDBHMLYRQYZKWOH-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dichlorophenyl)piperidin-4-amine
CID 118021104
1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
CID 117447117
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
CID 117344068
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine
CID 63408171
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine
CID 117344020
1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117420865
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)cycloheptan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)cycloheptan-1-amine (CID 43164287) is 1-(3,4-dichlorophenyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)cycloheptan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)cycloheptan-1-amine is NC1(c2ccc(Cl)c(Cl)c2)CCCCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)cycloheptan-1-amine?
The InChIKey is DBHMLYRQYZKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-11-6-5-10(9-12(11)15)13(16)7-3-1-2-4-8-13/h5-6,9H,1-4,7-8,16H2.
What are the key properties of 1-(3,4-dichlorophenyl)cycloheptan-1-amine?
1-(3,4-dichlorophenyl)cycloheptan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)cycloheptan-1-amine is sourced from PubChem (CID 43164287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).