N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline

C17H25FN2 — CID 64622975

IUPACN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline
SMILESCN(c1ccccc1F)C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C17H25FN2/c1-20(16-7-3-2-6-15(16)18)17(12-19)10-4-5-14(11-17)13-8-9-13/h2-3,6-7,13-14H,4-5,8-12,19H2,1H3
InChIKeyLFHYYBLDXISHLP-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.56
Rot. Bonds4

About N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline

N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline (PubChem CID 64622975) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline
PubChem CID64622975
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline
SMILESCN(c1ccccc1F)C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C17H25FN2/c1-20(16-7-3-2-6-15(16)18)17(12-19)10-4-5-14(11-17)13-8-9-13/h2-3,6-7,13-14H,4-5,8-12,19H2,1H3
InChIKeyLFHYYBLDXISHLP-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline
CID 65045051
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
CID 64624223
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550
N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline
CID 103562823
1-(aminomethyl)-N-cyclopentyl-3-cyclopropyl-N-ethylcyclohexan-1-amine
CID 64624828
1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 64624835
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
CID 64623184
1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
CID 65091488
N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
CID 167982152
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline
CID 80705886
8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine
CID 114818114
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline
CID 107449069

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline (CID 64622975) is N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline is CN(c1ccccc1F)C1(CN)CCCC(C2CC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline?
The InChIKey is LFHYYBLDXISHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-20(16-7-3-2-6-15(16)18)17(12-19)10-4-5-14(11-17)13-8-9-13/h2-3,6-7,13-14H,4-5,8-12,19H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline?
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline has a molecular weight of 276.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 64622975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).