N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline

C13H19FN2 — CID 105479500

IUPACN-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline
SMILESCc1cccc(NCC2(F)CCC(N)C2)c1
InChIInChI=1S/C13H19FN2/c1-10-3-2-4-12(7-10)16-9-13(14)6-5-11(15)8-13/h2-4,7,11,16H,5-6,8-9,15H2,1H3
InChIKeyATJQQOKGQSAKLB-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.63
Rot. Bonds3

About N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline

N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline (PubChem CID 105479500) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline
PubChem CID105479500
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline
SMILESCc1cccc(NCC2(F)CCC(N)C2)c1
InChIInChI=1S/C13H19FN2/c1-10-3-2-4-12(7-10)16-9-13(14)6-5-11(15)8-13/h2-4,7,11,16H,5-6,8-9,15H2,1H3
InChIKeyATJQQOKGQSAKLB-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 112565666
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561610
N-(azetidin-3-ylmethyl)-3-methylaniline
CID 84655686
3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 112565613
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline
CID 63503965
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline?
The IUPAC name of N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline (CID 105479500) is N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline?
The canonical SMILES for N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline is Cc1cccc(NCC2(F)CCC(N)C2)c1.
What is the InChIKey of N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline?
The InChIKey is ATJQQOKGQSAKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-3-2-4-12(7-10)16-9-13(14)6-5-11(15)8-13/h2-4,7,11,16H,5-6,8-9,15H2,1H3.
What are the key properties of N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline?
N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline has a molecular weight of 222.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline is sourced from PubChem (CID 105479500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).