N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine

C19H28ClFN2 — CID 153338537

IUPACN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCCC1
InChIInChI=1S/C19H28ClFN2/c1-19(9-2-3-10-19)23-11-8-14-4-6-15(7-5-14)18-17(20)12-16(21)13-22-18/h12-15,23H,2-11H2,1H3
InChIKeyHZIPNFQCABWRMX-UHFFFAOYSA-N
MW338.90 g/mol
LogP5.46
Rot. Bonds5

About N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine

N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine (PubChem CID 153338537) has the molecular formula C19H28ClFN2 and a molecular weight of 338.90 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
PubChem CID153338537
Molecular FormulaC19H28ClFN2
Molecular Weight338.90 g/mol
Exact Mass338.19
IUPAC NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCCC1
InChIInChI=1S/C19H28ClFN2/c1-19(9-2-3-10-19)23-11-8-14-4-6-15(7-5-14)18-17(20)12-16(21)13-22-18/h12-15,23H,2-11H2,1H3
InChIKeyHZIPNFQCABWRMX-UHFFFAOYSA-N
XLogP5.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.90
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine (CID 153338537) is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine is CC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCCC1.
What is the InChIKey of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The InChIKey is HZIPNFQCABWRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClFN2/c1-19(9-2-3-10-19)23-11-8-14-4-6-15(7-5-14)18-17(20)12-16(21)13-22-18/h12-15,23H,2-11H2,1H3.
What are the key properties of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine has a molecular weight of 338.90 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 153338537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).