2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine

C16H24ClNO — CID 63501080

IUPAC2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-12-18-15-6-4-3-5-7-16(15)19-14-10-8-13(17)9-11-14/h8-11,15-16,18H,2-7,12H2,1H3
InChIKeyIYNCANAXGDSFLM-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.42
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine

2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine (PubChem CID 63501080) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
PubChem CID63501080
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-12-18-15-6-4-3-5-7-16(15)19-14-10-8-13(17)9-11-14/h8-11,15-16,18H,2-7,12H2,1H3
InChIKeyIYNCANAXGDSFLM-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine (CID 63501080) is 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine?
The InChIKey is IYNCANAXGDSFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-12-18-15-6-4-3-5-7-16(15)19-14-10-8-13(17)9-11-14/h8-11,15-16,18H,2-7,12H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine?
2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 63501080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).