N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline

C15H23FN2 — CID 114058621

IUPACN-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline
SMILESCCCN(c1c(F)cccc1C(C)NC)C1CC1
InChIInChI=1S/C15H23FN2/c1-4-10-18(12-8-9-12)15-13(11(2)17-3)6-5-7-14(15)16/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyIPOVPGZFRGKNOX-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.48
Rot. Bonds6

About N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline

N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline (PubChem CID 114058621) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline
PubChem CID114058621
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline
SMILESCCCN(c1c(F)cccc1C(C)NC)C1CC1
InChIInChI=1S/C15H23FN2/c1-4-10-18(12-8-9-12)15-13(11(2)17-3)6-5-7-14(15)16/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyIPOVPGZFRGKNOX-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline
CID 114068167
N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline
CID 61441356
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750433
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
CID 114070011
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
1-[3-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 114058958
N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61449002
N-[2-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740253
N-cyclopropyl-3-[1-(methylamino)ethyl]-N-(2-methylpropyl)pyridin-2-amine
CID 114056029

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline?
The IUPAC name of N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline (CID 114058621) is N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline.
What is the SMILES notation for N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline?
The canonical SMILES for N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline is CCCN(c1c(F)cccc1C(C)NC)C1CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline?
The InChIKey is IPOVPGZFRGKNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-10-18(12-8-9-12)15-13(11(2)17-3)6-5-7-14(15)16/h5-7,11-12,17H,4,8-10H2,1-3H3.
What are the key properties of N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline?
N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline has a molecular weight of 250.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline is sourced from PubChem (CID 114058621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).