N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline

C15H23FN2 — CID 43569240

IUPACN-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1c(F)cccc1N(C)C(C)C1CC1
InChIInChI=1S/C15H23FN2/c1-10(17-3)15-13(16)6-5-7-14(15)18(4)11(2)12-8-9-12/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeySJSCVLZXKMBSTC-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.34
Rot. Bonds5

About N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline

N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline (PubChem CID 43569240) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
PubChem CID43569240
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1c(F)cccc1N(C)C(C)C1CC1
InChIInChI=1S/C15H23FN2/c1-10(17-3)15-13(16)6-5-7-14(15)18(4)11(2)12-8-9-12/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeySJSCVLZXKMBSTC-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
CID 43569241
N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569234
N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284569
1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine
CID 60887037
4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 43569413
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
N-[2-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740253
3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 104834148
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43569244
N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 65320533

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline (CID 43569240) is N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline is CNC(C)c1c(F)cccc1N(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline?
The InChIKey is SJSCVLZXKMBSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10(17-3)15-13(16)6-5-7-14(15)18(4)11(2)12-8-9-12/h5-7,10-12,17H,8-9H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline?
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline has a molecular weight of 250.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 43569240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).