N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine

C19H30FN — CID 81033689

IUPACN-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H30FN/c1-4-15-5-8-17(13-21-14(2)3)18(11-15)12-16-6-9-19(20)10-7-16/h6-7,9-10,14-15,17-18,21H,4-5,8,11-13H2,1-3H3
InChIKeyXJKKUKOQPMKHJM-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.81
Rot. Bonds6

About N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine

N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 81033689) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID81033689
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H30FN/c1-4-15-5-8-17(13-21-14(2)3)18(11-15)12-16-6-9-19(20)10-7-16/h6-7,9-10,14-15,17-18,21H,4-5,8,11-13H2,1-3H3
InChIKeyXJKKUKOQPMKHJM-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012661
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]propan-2-amine
CID 104813948
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 105411527
N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine
CID 81030095
N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029725
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 104737410
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81033022
1-[2-[(4-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032819

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine (CID 81033689) is N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine is CCC1CCC(CNC(C)C)C(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is XJKKUKOQPMKHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-4-15-5-8-17(13-21-14(2)3)18(11-15)12-16-6-9-19(20)10-7-16/h6-7,9-10,14-15,17-18,21H,4-5,8,11-13H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 291.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81033689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).