N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine

C20H29ClFN — CID 146767447

IUPACN-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCCC2CCC(c3c(F)cccc3Cl)CC2)CCCC1
InChIInChI=1S/C20H29ClFN/c1-20(12-2-3-13-20)23-14-11-15-7-9-16(10-8-15)19-17(21)5-4-6-18(19)22/h4-6,15-16,23H,2-3,7-14H2,1H3
InChIKeyRQXDVUHOQZWLMO-UHFFFAOYSA-N
MW337.91 g/mol
LogP6.07
Rot. Bonds5

About N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine

N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine (PubChem CID 146767447) has the molecular formula C20H29ClFN and a molecular weight of 337.91 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
PubChem CID146767447
Molecular FormulaC20H29ClFN
Molecular Weight337.91 g/mol
Exact Mass337.20
IUPAC NameN-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCCC2CCC(c3c(F)cccc3Cl)CC2)CCCC1
InChIInChI=1S/C20H29ClFN/c1-20(12-2-3-13-20)23-14-11-15-7-9-16(10-8-15)19-17(21)5-4-6-18(19)22/h4-6,15-16,23H,2-3,7-14H2,1H3
InChIKeyRQXDVUHOQZWLMO-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.91
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine (CID 146767447) is N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine is CC1(NCCC2CCC(c3c(F)cccc3Cl)CC2)CCCC1.
What is the InChIKey of N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
The InChIKey is RQXDVUHOQZWLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClFN/c1-20(12-2-3-13-20)23-14-11-15-7-9-16(10-8-15)19-17(21)5-4-6-18(19)22/h4-6,15-16,23H,2-3,7-14H2,1H3.
What are the key properties of N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine?
N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine has a molecular weight of 337.91 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 146767447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).