2-cycloheptyl-1-phenylethanamine

C15H23N — CID 21261900

IUPAC2-cycloheptyl-1-phenylethanamine
SMILESNC(CC1CCCCCC1)c1ccccc1
InChIInChI=1S/C15H23N/c16-15(14-10-6-3-7-11-14)12-13-8-4-1-2-5-9-13/h3,6-7,10-11,13,15H,1-2,4-5,8-9,12,16H2
InChIKeyBOBCIVDHDWTYNM-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.05
Rot. Bonds3

About 2-cycloheptyl-1-phenylethanamine

2-cycloheptyl-1-phenylethanamine (PubChem CID 21261900) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-cycloheptyl-1-phenylethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-phenylethanamine
PubChem CID21261900
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-cycloheptyl-1-phenylethanamine
SMILESNC(CC1CCCCCC1)c1ccccc1
InChIInChI=1S/C15H23N/c16-15(14-10-6-3-7-11-14)12-13-8-4-1-2-5-9-13/h3,6-7,10-11,13,15H,1-2,4-5,8-9,12,16H2
InChIKeyBOBCIVDHDWTYNM-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-phenylethanamine?
The IUPAC name of 2-cycloheptyl-1-phenylethanamine (CID 21261900) is 2-cycloheptyl-1-phenylethanamine.
What is the SMILES notation for 2-cycloheptyl-1-phenylethanamine?
The canonical SMILES for 2-cycloheptyl-1-phenylethanamine is NC(CC1CCCCCC1)c1ccccc1.
What is the InChIKey of 2-cycloheptyl-1-phenylethanamine?
The InChIKey is BOBCIVDHDWTYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c16-15(14-10-6-3-7-11-14)12-13-8-4-1-2-5-9-13/h3,6-7,10-11,13,15H,1-2,4-5,8-9,12,16H2.
What are the key properties of 2-cycloheptyl-1-phenylethanamine?
2-cycloheptyl-1-phenylethanamine has a molecular weight of 217.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-phenylethanamine is sourced from PubChem (CID 21261900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).