4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline

C15H23FN2 — CID 63630716

IUPAC4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
SMILESCC(N)c1ccc(N(C)CC2CCCC2)c(F)c1
InChIInChI=1S/C15H23FN2/c1-11(17)13-7-8-15(14(16)9-13)18(2)10-12-5-3-4-6-12/h7-9,11-12H,3-6,10,17H2,1-2H3
InChIKeyMHGJLNOZCNZCEP-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds4

About 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline

4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline (PubChem CID 63630716) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
PubChem CID63630716
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
SMILESCC(N)c1ccc(N(C)CC2CCCC2)c(F)c1
InChIInChI=1S/C15H23FN2/c1-11(17)13-7-8-15(14(16)9-13)18(2)10-12-5-3-4-6-12/h7-9,11-12H,3-6,10,17H2,1-2H3
InChIKeyMHGJLNOZCNZCEP-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852
4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
CID 107399231
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
4-[cyclohexylmethyl(methyl)amino]-3-fluorobenzenecarbothioamide
CID 61447014
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105415152
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline (CID 63630716) is 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline is CC(N)c1ccc(N(C)CC2CCCC2)c(F)c1.
What is the InChIKey of 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The InChIKey is MHGJLNOZCNZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(17)13-7-8-15(14(16)9-13)18(2)10-12-5-3-4-6-12/h7-9,11-12H,3-6,10,17H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline has a molecular weight of 250.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 63630716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).