N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine

C15H24N2 — CID 64687047

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccc(CCN)cc2)CCCC1
InChIInChI=1S/C15H24N2/c1-15(9-2-3-10-15)17-12-14-6-4-13(5-7-14)8-11-16/h4-7,17H,2-3,8-12,16H2,1H3
InChIKeyXMELLFPDWPXTLR-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine

N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine (PubChem CID 64687047) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine
PubChem CID64687047
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccc(CCN)cc2)CCCC1
InChIInChI=1S/C15H24N2/c1-15(9-2-3-10-15)17-12-14-6-4-13(5-7-14)8-11-16/h4-7,17H,2-3,8-12,16H2,1H3
InChIKeyXMELLFPDWPXTLR-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine (CID 64687047) is N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine is CC1(NCc2ccc(CCN)cc2)CCCC1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine?
The InChIKey is XMELLFPDWPXTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(9-2-3-10-15)17-12-14-6-4-13(5-7-14)8-11-16/h4-7,17H,2-3,8-12,16H2,1H3.
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 64687047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).