2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine

C18H29FN2 — CID 62978796

IUPAC2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(N)C(N(C)C(C)c2ccccc2F)C1
InChIInChI=1S/C18H29FN2/c1-4-7-14-10-11-17(20)18(12-14)21(3)13(2)15-8-5-6-9-16(15)19/h5-6,8-9,13-14,17-18H,4,7,10-12,20H2,1-3H3
InChIKeyFUDWMDJSRIZKPH-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.11
Rot. Bonds5

About 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine

2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine (PubChem CID 62978796) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine
PubChem CID62978796
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(N)C(N(C)C(C)c2ccccc2F)C1
InChIInChI=1S/C18H29FN2/c1-4-7-14-10-11-17(20)18(12-14)21(3)13(2)15-8-5-6-9-16(15)19/h5-6,8-9,13-14,17-18H,4,7,10-12,20H2,1-3H3
InChIKeyFUDWMDJSRIZKPH-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 104954596
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 62979149
2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile
CID 62978455
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 62610633
2-N-methyl-4-propyl-2-N-(2-pyridin-2-ylethyl)cyclohexane-1,2-diamine
CID 60916986
2-N-propan-2-yl-2-N,4-dipropylcyclohexane-1,2-diamine
CID 54932445
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine
CID 66364972
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 16781866
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
CID 62918050
6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79843106

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine (CID 62978796) is 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine is CCCC1CCC(N)C(N(C)C(C)c2ccccc2F)C1.
What is the InChIKey of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine?
The InChIKey is FUDWMDJSRIZKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-7-14-10-11-17(20)18(12-14)21(3)13(2)15-8-5-6-9-16(15)19/h5-6,8-9,13-14,17-18H,4,7,10-12,20H2,1-3H3.
What are the key properties of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine?
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine has a molecular weight of 292.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 62978796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).