3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline

C18H29FN2 — CID 106532492

IUPAC3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline
SMILESCC(C)CN(CC(C)C)c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C18H29FN2/c1-13(2)11-21(12-14(3)4)18-8-15(7-16(19)9-18)10-20-17-5-6-17/h7-9,13-14,17,20H,5-6,10-12H2,1-4H3
InChIKeyOHDBHYJPAVUJBB-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.20
Rot. Bonds8

About 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline

3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline (PubChem CID 106532492) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline
PubChem CID106532492
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline
SMILESCC(C)CN(CC(C)C)c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C18H29FN2/c1-13(2)11-21(12-14(3)4)18-8-15(7-16(19)9-18)10-20-17-5-6-17/h7-9,13-14,17,20H,5-6,10-12H2,1-4H3
InChIKeyOHDBHYJPAVUJBB-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 106532266
N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
CID 106532103
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline
CID 106532212
3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 106532922
N-[(3-butan-2-ylsulfanyl-5-fluorophenyl)methyl]cyclopropanamine
CID 106533935
3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63487574
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
CID 55002084
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline?
The IUPAC name of 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline (CID 106532492) is 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline is CC(C)CN(CC(C)C)c1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline?
The InChIKey is OHDBHYJPAVUJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-13(2)11-21(12-14(3)4)18-8-15(7-16(19)9-18)10-20-17-5-6-17/h7-9,13-14,17,20H,5-6,10-12H2,1-4H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline?
3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline has a molecular weight of 292.44 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline is sourced from PubChem (CID 106532492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).