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

C18H26FN — CID 81368804

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC[C@@H](NC1CCC2CCCCC2C1)c1cccc(F)c1
InChIInChI=1S/C18H26FN/c1-13(15-7-4-8-17(19)11-15)20-18-10-9-14-5-2-3-6-16(14)12-18/h4,7-8,11,13-14,16,18,20H,2-3,5-6,9-10,12H2,1H3/t13-,14?,16?,18?/m1/s1
InChIKeyNRVHYCDQKUTXEU-DMIAPBAMSA-N
MW275.41 g/mol
LogP4.84
Rot. Bonds3

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

N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 81368804) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID81368804
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC[C@@H](NC1CCC2CCCCC2C1)c1cccc(F)c1
InChIInChI=1S/C18H26FN/c1-13(15-7-4-8-17(19)11-15)20-18-10-9-14-5-2-3-6-16(14)12-18/h4,7-8,11,13-14,16,18,20H,2-3,5-6,9-10,12H2,1H3/t13-,14?,16?,18?/m1/s1
InChIKeyNRVHYCDQKUTXEU-DMIAPBAMSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
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CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81368625
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223783
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine
CID 81365028

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 81368804) is N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C[C@@H](NC1CCC2CCCCC2C1)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is NRVHYCDQKUTXEU-DMIAPBAMSA-N. The full InChI is InChI=1S/C18H26FN/c1-13(15-7-4-8-17(19)11-15)20-18-10-9-14-5-2-3-6-16(14)12-18/h4,7-8,11,13-14,16,18,20H,2-3,5-6,9-10,12H2,1H3/t13-,14?,16?,18?/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[(1R)-1-(3-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 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 81368804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).