2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline

C17H27FN2 — CID 63494821

IUPAC2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
SMILESCCCNC1CCCCC1CN(C)c1ccccc1F
InChIInChI=1S/C17H27FN2/c1-3-12-19-16-10-6-4-8-14(16)13-20(2)17-11-7-5-9-15(17)18/h5,7,9,11,14,16,19H,3-4,6,8,10,12-13H2,1-2H3
InChIKeyUENXKEFJWDECCC-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.82
Rot. Bonds6

About 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline

2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline (PubChem CID 63494821) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
PubChem CID63494821
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
SMILESCCCNC1CCCCC1CN(C)c1ccccc1F
InChIInChI=1S/C17H27FN2/c1-3-12-19-16-10-6-4-8-14(16)13-20(2)17-11-7-5-9-15(17)18/h5,7,9,11,14,16,19H,3-4,6,8,10,12-13H2,1-2H3
InChIKeyUENXKEFJWDECCC-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494623
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine
CID 63495171
N,3,5-trimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494461
N-[[2-(ethylamino)cyclohexyl]methyl]-2-methoxy-N-methylaniline
CID 62614958
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline (CID 63494821) is 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline is CCCNC1CCCCC1CN(C)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The InChIKey is UENXKEFJWDECCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-12-19-16-10-6-4-8-14(16)13-20(2)17-11-7-5-9-15(17)18/h5,7,9,11,14,16,19H,3-4,6,8,10,12-13H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline has a molecular weight of 278.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline is sourced from PubChem (CID 63494821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).