3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine

C17H20FN3 — CID 81249517

IUPAC3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1ccccc1F)c1ccncc1CNC1CC1
InChIInChI=1S/C17H20FN3/c1-21(12-13-4-2-3-5-16(13)18)17-8-9-19-10-14(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11-12H2,1H3
InChIKeyOWJTXMICVMJUSM-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.11
Rot. Bonds6

About 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine

3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine (PubChem CID 81249517) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
PubChem CID81249517
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1ccccc1F)c1ccncc1CNC1CC1
InChIInChI=1S/C17H20FN3/c1-21(12-13-4-2-3-5-16(13)18)17-8-9-19-10-14(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11-12H2,1H3
InChIKeyOWJTXMICVMJUSM-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250250
6-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 62295485
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767571
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81246080
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 81250020

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine (CID 81249517) is 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine is CN(Cc1ccccc1F)c1ccncc1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The InChIKey is OWJTXMICVMJUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-21(12-13-4-2-3-5-16(13)18)17-8-9-19-10-14(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11-12H2,1H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine?
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 81249517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).