N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline

C15H23FN2 — CID 62611386

IUPACN-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline
SMILESCC1CCC(N)C(CN(C)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2/c1-11-6-7-15(17)12(8-11)10-18(2)14-5-3-4-13(16)9-14/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3
InChIKeyACYXFCOCKGXNPU-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.03
Rot. Bonds3

About N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline

N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline (PubChem CID 62611386) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline
PubChem CID62611386
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline
SMILESCC1CCC(N)C(CN(C)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2/c1-11-6-7-15(17)12(8-11)10-18(2)14-5-3-4-13(16)9-14/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3
InChIKeyACYXFCOCKGXNPU-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline
CID 63495505
2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63489444
N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline
CID 63493479
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62462333
N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline
CID 62609281
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
CID 62616722
2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 63482830
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 64762944
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62616432

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline (CID 62611386) is N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline is CC1CCC(N)C(CN(C)c2cccc(F)c2)C1.
What is the InChIKey of N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline?
The InChIKey is ACYXFCOCKGXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-6-7-15(17)12(8-11)10-18(2)14-5-3-4-13(16)9-14/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3.
What are the key properties of N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline?
N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline has a molecular weight of 250.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 62611386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).