N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine

C17H26FN — CID 107448317

IUPACN-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(NC1CCCC(C(C)C)C1)c1ccccc1F
InChIInChI=1S/C17H26FN/c1-12(2)14-7-6-8-15(11-14)19-13(3)16-9-4-5-10-17(16)18/h4-5,9-10,12-15,19H,6-8,11H2,1-3H3
InChIKeyNMOYMKVCQKIABE-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine

N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448317) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448317
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(NC1CCCC(C(C)C)C1)c1ccccc1F
InChIInChI=1S/C17H26FN/c1-12(2)14-7-6-8-15(11-14)19-13(3)16-9-4-5-10-17(16)18/h4-5,9-10,12-15,19H,6-8,11H2,1-3H3
InChIKeyNMOYMKVCQKIABE-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[1-(2-fluorophenyl)ethyl]azepan-4-amine
CID 103981604
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
CID 113352637
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
N-[1-(2-fluorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223965
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 81363736

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448317) is N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine is CC(NC1CCCC(C(C)C)C1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is NMOYMKVCQKIABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12(2)14-7-6-8-15(11-14)19-13(3)16-9-4-5-10-17(16)18/h4-5,9-10,12-15,19H,6-8,11H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).