N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine

C24H34N2O3 — CID 75494220

IUPACN-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCOc1cc(CNCC2(NC(C)c3ccccc3)CCCC2)cc(OC)c1OC
InChIInChI=1S/C24H34N2O3/c1-18(20-10-6-5-7-11-20)26-24(12-8-9-13-24)17-25-16-19-14-21(27-2)23(29-4)22(15-19)28-3/h5-7,10-11,14-15,18,25-26H,8-9,12-13,16-17H2,1-4H3
InChIKeyIBZPQMVCKGFSEO-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.47
Rot. Bonds10

About N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine

N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 75494220) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine
PubChem CID75494220
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCOc1cc(CNCC2(NC(C)c3ccccc3)CCCC2)cc(OC)c1OC
InChIInChI=1S/C24H34N2O3/c1-18(20-10-6-5-7-11-20)26-24(12-8-9-13-24)17-25-16-19-14-21(27-2)23(29-4)22(15-19)28-3/h5-7,10-11,14-15,18,25-26H,8-9,12-13,16-17H2,1-4H3
InChIKeyIBZPQMVCKGFSEO-UHFFFAOYSA-N
XLogP4.47
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine (CID 75494220) is N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine is COc1cc(CNCC2(NC(C)c3ccccc3)CCCC2)cc(OC)c1OC.
What is the InChIKey of N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is IBZPQMVCKGFSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-18(20-10-6-5-7-11-20)26-24(12-8-9-13-24)17-25-16-19-14-21(27-2)23(29-4)22(15-19)28-3/h5-7,10-11,14-15,18,25-26H,8-9,12-13,16-17H2,1-4H3.
What are the key properties of N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine?
N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 398.55 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 75494220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).