N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C18H26FN — CID 43222915

IUPACN-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFc1ccc(CCNC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C18H26FN/c19-17-8-5-14(6-9-17)11-12-20-18-10-7-15-3-1-2-4-16(15)13-18/h5-6,8-9,15-16,18,20H,1-4,7,10-13H2
InChIKeyWNHGSQLDGUBTCE-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.32
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43222915) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43222915
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFc1ccc(CCNC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C18H26FN/c19-17-8-5-14(6-9-17)11-12-20-18-10-7-15-3-1-2-4-16(15)13-18/h5-6,8-9,15-16,18,20H,1-4,7,10-13H2
InChIKeyWNHGSQLDGUBTCE-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222656
3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine
CID 64623377
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
CID 112739931
N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65080834
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63793739
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 115704320

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43222915) is N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is Fc1ccc(CCNC2CCC3CCCCC3C2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is WNHGSQLDGUBTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c19-17-8-5-14(6-9-17)11-12-20-18-10-7-15-3-1-2-4-16(15)13-18/h5-6,8-9,15-16,18,20H,1-4,7,10-13H2.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 275.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43222915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).