1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine

C16H25FN2 — CID 105374090

IUPAC1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1ccc(F)cc1CC(N)C1(N(C)C)CCCC1
InChIInChI=1S/C16H25FN2/c1-12-6-7-14(17)10-13(12)11-15(18)16(19(2)3)8-4-5-9-16/h6-7,10,15H,4-5,8-9,11,18H2,1-3H3
InChIKeyVQYKNSAVFZTGQO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.88
Rot. Bonds4

About 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine

1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 105374090) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID105374090
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1ccc(F)cc1CC(N)C1(N(C)C)CCCC1
InChIInChI=1S/C16H25FN2/c1-12-6-7-14(17)10-13(12)11-15(18)16(19(2)3)8-4-5-9-16/h6-7,10,15H,4-5,8-9,11,18H2,1-3H3
InChIKeyVQYKNSAVFZTGQO-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-amino-2-(2-chloro-5-fluorophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 102619079
1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063382
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 104794103
1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063733
2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanol
CID 105377576
1-[1-amino-2-(2-bromo-4-fluorophenyl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79062191
2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115843507
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
2-(4-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethanamine
CID 114348186
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine (CID 105374090) is 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine is Cc1ccc(F)cc1CC(N)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is VQYKNSAVFZTGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-6-7-14(17)10-13(12)11-15(18)16(19(2)3)8-4-5-9-16/h6-7,10,15H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine?
1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 105374090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).