1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine

C18H29FN2 — CID 79063504

IUPAC1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(c1cc(F)ccc1C)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H29FN2/c1-14-9-10-15(19)13-16(14)17(20-2)18(21(3)4)11-7-5-6-8-12-18/h9-10,13,17,20H,5-8,11-12H2,1-4H3
InChIKeyQWHXGYKCJCARSU-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.05
Rot. Bonds4

About 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine

1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79063504) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79063504
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(c1cc(F)ccc1C)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H29FN2/c1-14-9-10-15(19)13-16(14)17(20-2)18(21(3)4)11-7-5-6-8-12-18/h9-10,13,17,20H,5-8,11-12H2,1-4H3
InChIKeyQWHXGYKCJCARSU-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070605
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 82769632
N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 79066063
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 115852569
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
[(5-fluoro-2-methylphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275942

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine (CID 79063504) is 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine is CNC(c1cc(F)ccc1C)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is QWHXGYKCJCARSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14-9-10-15(19)13-16(14)17(20-2)18(21(3)4)11-7-5-6-8-12-18/h9-10,13,17,20H,5-8,11-12H2,1-4H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79063504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).