N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

C15H21ClFN — CID 114452932

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2cc(F)cc(Cl)c2)C1C
InChIInChI=1S/C15H21ClFN/c1-3-12-4-5-15(10(12)2)18-9-11-6-13(16)8-14(17)7-11/h6-8,10,12,15,18H,3-5,9H2,1-2H3
InChIKeyHDCSXKUDKWQMMJ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.39
Rot. Bonds4

About N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 114452932) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID114452932
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2cc(F)cc(Cl)c2)C1C
InChIInChI=1S/C15H21ClFN/c1-3-12-4-5-15(10(12)2)18-9-11-6-13(16)8-14(17)7-11/h6-8,10,12,15,18H,3-5,9H2,1-2H3
InChIKeyHDCSXKUDKWQMMJ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 79709823
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine
CID 66409422
3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 64921530
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64923688
N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline
CID 64921729
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine
CID 64921747

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 114452932) is N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NCc2cc(F)cc(Cl)c2)C1C.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is HDCSXKUDKWQMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-3-12-4-5-15(10(12)2)18-9-11-6-13(16)8-14(17)7-11/h6-8,10,12,15,18H,3-5,9H2,1-2H3.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 114452932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).