N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine

C18H28FN — CID 104979808

IUPACN-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)N[C@@H](C)C1CCCCCC1
InChIInChI=1S/C18H28FN/c1-14(13-17-11-7-8-12-18(17)19)20-15(2)16-9-5-3-4-6-10-16/h7-8,11-12,14-16,20H,3-6,9-10,13H2,1-2H3/t14?,15-/m0/s1
InChIKeyBXMZTRZJJBQFKT-LOACHALJSA-N
MW277.43 g/mol
LogP4.71
Rot. Bonds5

About N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine

N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine (PubChem CID 104979808) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
PubChem CID104979808
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)N[C@@H](C)C1CCCCCC1
InChIInChI=1S/C18H28FN/c1-14(13-17-11-7-8-12-18(17)19)20-15(2)16-9-5-3-4-6-10-16/h7-8,11-12,14-16,20H,3-6,9-10,13H2,1-2H3/t14?,15-/m0/s1
InChIKeyBXMZTRZJJBQFKT-LOACHALJSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
CID 63544199
N-(1-cyclopentylethyl)-1-(furan-2-yl)propan-2-amine
CID 62634085
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 114830832
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
CID 70064214
3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 115976612
2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 113456667

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine (CID 104979808) is N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine is CC(Cc1ccccc1F)N[C@@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is BXMZTRZJJBQFKT-LOACHALJSA-N. The full InChI is InChI=1S/C18H28FN/c1-14(13-17-11-7-8-12-18(17)19)20-15(2)16-9-5-3-4-6-10-16/h7-8,11-12,14-16,20H,3-6,9-10,13H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine?
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 277.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 104979808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).