N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine

C18H29FN2 — CID 79866407

IUPACN-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN(C)Cc2ccc(F)cc2)CCC1(C)C
InChIInChI=1S/C18H29FN2/c1-5-20-17-15(10-11-18(17,2)3)13-21(4)12-14-6-8-16(19)9-7-14/h6-9,15,17,20H,5,10-13H2,1-4H3
InChIKeyWJZIXJXUUZIBIC-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine

N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79866407) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79866407
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN(C)Cc2ccc(F)cc2)CCC1(C)C
InChIInChI=1S/C18H29FN2/c1-5-20-17-15(10-11-18(17,2)3)13-21(4)12-14-6-8-16(19)9-7-14/h6-9,15,17,20H,5,10-13H2,1-4H3
InChIKeyWJZIXJXUUZIBIC-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine (CID 79866407) is N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine is CCNC1C(CN(C)Cc2ccc(F)cc2)CCC1(C)C.
What is the InChIKey of N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is WJZIXJXUUZIBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-20-17-15(10-11-18(17,2)3)13-21(4)12-14-6-8-16(19)9-7-14/h6-9,15,17,20H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine?
N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79866407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).