N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine

C19H30FN — CID 107179519

IUPACN-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)C1CCCCC1(C)C
InChIInChI=1S/C19H30FN/c1-4-13-21-18(14-15-8-10-16(20)11-9-15)17-7-5-6-12-19(17,2)3/h8-11,17-18,21H,4-7,12-14H2,1-3H3
InChIKeyFYMCVSLBHBISRS-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.95
Rot. Bonds6

About N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine

N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 107179519) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID107179519
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)C1CCCCC1(C)C
InChIInChI=1S/C19H30FN/c1-4-13-21-18(14-15-8-10-16(20)11-9-15)17-7-5-6-12-19(17,2)3/h8-11,17-18,21H,4-7,12-14H2,1-3H3
InChIKeyFYMCVSLBHBISRS-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 107179564
[1-(2,2-dimethylcyclopentyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107193293
N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 65391253
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene
CID 107183554
N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107189010
N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107001925
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107191840
1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 107179603

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (CID 107179519) is N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)C1CCCCC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is FYMCVSLBHBISRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-4-13-21-18(14-15-8-10-16(20)11-9-15)17-7-5-6-12-19(17,2)3/h8-11,17-18,21H,4-7,12-14H2,1-3H3.
What are the key properties of N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107179519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).