N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine

C16H25FN2 — CID 55245569

IUPACN-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1ccc(C)c(F)c1
InChIInChI=1S/C16H25FN2/c1-3-19(14-6-4-5-7-14)16(11-18)13-9-8-12(2)15(17)10-13/h8-10,14,16H,3-7,11,18H2,1-2H3
InChIKeyFABLAOCHVMVAPB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.40
Rot. Bonds5

About N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine

N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine (PubChem CID 55245569) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
PubChem CID55245569
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1ccc(C)c(F)c1
InChIInChI=1S/C16H25FN2/c1-3-19(14-6-4-5-7-14)16(11-18)13-9-8-12(2)15(17)10-13/h8-10,14,16H,3-7,11,18H2,1-2H3
InChIKeyFABLAOCHVMVAPB-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine (CID 55245569) is N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine is CCN(C1CCCC1)C(CN)c1ccc(C)c(F)c1.
What is the InChIKey of N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine?
The InChIKey is FABLAOCHVMVAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-19(14-6-4-5-7-14)16(11-18)13-9-8-12(2)15(17)10-13/h8-10,14,16H,3-7,11,18H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine?
N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55245569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).