4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline

C14H20BrFN2 — CID 107532385

IUPAC4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
SMILESCN(CC1CCCC1)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C14H20BrFN2/c1-18(9-10-4-2-3-5-10)12-7-6-11(8-17)13(15)14(12)16/h6-7,10H,2-5,8-9,17H2,1H3
InChIKeyHLMNAYXMMXUVAG-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.67
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline

4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline (PubChem CID 107532385) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
PubChem CID107532385
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
SMILESCN(CC1CCCC1)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C14H20BrFN2/c1-18(9-10-4-2-3-5-10)12-7-6-11(8-17)13(15)14(12)16/h6-7,10H,2-5,8-9,17H2,1H3
InChIKeyHLMNAYXMMXUVAG-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 107532389
4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
CID 107932908
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
CID 107532386
2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
CID 62307441
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 107532417
N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
CID 66962258
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694
2-bromo-4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 107536349
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
5-[4-(aminomethyl)-3-bromo-2-fluoro-N-methylanilino]pentan-1-ol
CID 107532538
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 107532166

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline (CID 107532385) is 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline is CN(CC1CCCC1)c1ccc(CN)c(Br)c1F.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The InChIKey is HLMNAYXMMXUVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-18(9-10-4-2-3-5-10)12-7-6-11(8-17)13(15)14(12)16/h6-7,10H,2-5,8-9,17H2,1H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline has a molecular weight of 315.23 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 107532385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).