4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine

C19H27FN2 — CID 68812522

IUPAC4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CC=C(c3ccccc3F)CC2)CC1
InChIInChI=1S/C19H27FN2/c20-19-4-2-1-3-18(19)16-10-13-22(14-11-16)12-9-15-5-7-17(21)8-6-15/h1-4,10,15,17H,5-9,11-14,21H2
InChIKeyHMZHOHHNEFYBNB-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.82
Rot. Bonds4

About 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 68812522) has the molecular formula C19H27FN2 and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID68812522
Molecular FormulaC19H27FN2
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Name4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CC=C(c3ccccc3F)CC2)CC1
InChIInChI=1S/C19H27FN2/c20-19-4-2-1-3-18(19)16-10-13-22(14-11-16)12-9-15-5-7-17(21)8-6-15/h1-4,10,15,17H,5-9,11-14,21H2
InChIKeyHMZHOHHNEFYBNB-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-carbamoyl-4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate
CID 91396311
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
CID 15101112
4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 141198643
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-propyl-3,6-dihydro-2H-pyridine
CID 67533000
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
1-[4-[2-[4-(3-aminophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-1-yl]propan-2-one
CID 89313324
4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide
CID 70229357
2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 90752965
2-[4-(4-amino-2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]acetonitrile
CID 143096041
4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 23627585
4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68508942

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine (CID 68812522) is 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CC=C(c3ccccc3F)CC2)CC1.
What is the InChIKey of 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is HMZHOHHNEFYBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2/c20-19-4-2-1-3-18(19)16-10-13-22(14-11-16)12-9-15-5-7-17(21)8-6-15/h1-4,10,15,17H,5-9,11-14,21H2.
What are the key properties of 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 68812522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).