1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C16H25FN2O — CID 82769632

IUPAC1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(c1cc(F)ccc1OC)C1(N(C)C)CCCC1
InChIInChI=1S/C16H25FN2O/c1-18-15(16(19(2)3)9-5-6-10-16)13-11-12(17)7-8-14(13)20-4/h7-8,11,15,18H,5-6,9-10H2,1-4H3
InChIKeyZICCLPQAZNEIRJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds5

About 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 82769632) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID82769632
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(c1cc(F)ccc1OC)C1(N(C)C)CCCC1
InChIInChI=1S/C16H25FN2O/c1-18-15(16(19(2)3)9-5-6-10-16)13-11-12(17)7-8-14(13)20-4/h7-8,11,15,18H,5-6,9-10H2,1-4H3
InChIKeyZICCLPQAZNEIRJ-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82769611
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958937
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105276084
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176
[(5-fluoro-2-methoxyphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253466
3-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959348
[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82771557

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 82769632) is 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CNC(c1cc(F)ccc1OC)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is ZICCLPQAZNEIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-18-15(16(19(2)3)9-5-6-10-16)13-11-12(17)7-8-14(13)20-4/h7-8,11,15,18H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 82769632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).