2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine

C18H30N2 — CID 105347717

IUPAC2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
SMILESCCNCCc1ccc(CN(C)CC2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-19-13-12-16-8-10-18(11-9-16)15-20(2)14-17-6-4-5-7-17/h8-11,17,19H,3-7,12-15H2,1-2H3
InChIKeyZIGHAXOGHWIAIL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds8

About 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine

2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine (PubChem CID 105347717) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
PubChem CID105347717
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
SMILESCCNCCc1ccc(CN(C)CC2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-19-13-12-16-8-10-18(11-9-16)15-20(2)14-17-6-4-5-7-17/h8-11,17,19H,3-7,12-15H2,1-2H3
InChIKeyZIGHAXOGHWIAIL-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347684
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
N-[2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347152
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 105347488
N-[[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63657541
N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347759
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347771
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781
N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115464114

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine?
The IUPAC name of 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine (CID 105347717) is 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine?
The canonical SMILES for 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine is CCNCCc1ccc(CN(C)CC2CCCC2)cc1.
What is the InChIKey of 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine?
The InChIKey is ZIGHAXOGHWIAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-19-13-12-16-8-10-18(11-9-16)15-20(2)14-17-6-4-5-7-17/h8-11,17,19H,3-7,12-15H2,1-2H3.
What are the key properties of 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine?
2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 105347717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).