(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine

C18H26FN — CID 81384662

IUPAC(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
SMILESC[C@@H](NC(c1ccc(F)cc1)C1CC1)C1CCCCC1
InChIInChI=1S/C18H26FN/c1-13(14-5-3-2-4-6-14)20-18(15-7-8-15)16-9-11-17(19)12-10-16/h9-15,18,20H,2-8H2,1H3/t13-,18?/m1/s1
InChIKeyXBUFMYWDSSVGHF-YJJYDOSJSA-N
MW275.41 g/mol
LogP4.84
Rot. Bonds5

About (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine (PubChem CID 81384662) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
PubChem CID81384662
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
SMILESC[C@@H](NC(c1ccc(F)cc1)C1CC1)C1CCCCC1
InChIInChI=1S/C18H26FN/c1-13(14-5-3-2-4-6-14)20-18(15-7-8-15)16-9-11-17(19)12-10-16/h9-15,18,20H,2-8H2,1H3/t13-,18?/m1/s1
InChIKeyXBUFMYWDSSVGHF-YJJYDOSJSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43763457
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
CID 106344221
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine (CID 81384662) is (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine is C[C@@H](NC(c1ccc(F)cc1)C1CC1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is XBUFMYWDSSVGHF-YJJYDOSJSA-N. The full InChI is InChI=1S/C18H26FN/c1-13(14-5-3-2-4-6-14)20-18(15-7-8-15)16-9-11-17(19)12-10-16/h9-15,18,20H,2-8H2,1H3/t13-,18?/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 275.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 81384662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).