[1-(3,4-dichlorophenyl)cycloheptyl]methanamine

C14H19Cl2N — CID 24860902

IUPAC[1-(3,4-dichlorophenyl)cycloheptyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCCCCC1
InChIInChI=1S/C14H19Cl2N/c15-12-6-5-11(9-13(12)16)14(10-17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,17H2
InChIKeyNMFAKPRDDDKVBP-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.54
Rot. Bonds2

About [1-(3,4-dichlorophenyl)cycloheptyl]methanamine

[1-(3,4-dichlorophenyl)cycloheptyl]methanamine (PubChem CID 24860902) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)cycloheptyl]methanamine
PubChem CID24860902
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name[1-(3,4-dichlorophenyl)cycloheptyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCCCCC1
InChIInChI=1S/C14H19Cl2N/c15-12-6-5-11(9-13(12)16)14(10-17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,17H2
InChIKeyNMFAKPRDDDKVBP-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)cycloheptyl]methanamine?
The IUPAC name of [1-(3,4-dichlorophenyl)cycloheptyl]methanamine (CID 24860902) is [1-(3,4-dichlorophenyl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)cycloheptyl]methanamine?
The canonical SMILES for [1-(3,4-dichlorophenyl)cycloheptyl]methanamine is NCC1(c2ccc(Cl)c(Cl)c2)CCCCCC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)cycloheptyl]methanamine?
The InChIKey is NMFAKPRDDDKVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c15-12-6-5-11(9-13(12)16)14(10-17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,17H2.
What are the key properties of [1-(3,4-dichlorophenyl)cycloheptyl]methanamine?
[1-(3,4-dichlorophenyl)cycloheptyl]methanamine has a molecular weight of 272.22 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)cycloheptyl]methanamine is sourced from PubChem (CID 24860902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).