2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline

C14H21BrN2 — CID 55001986

IUPAC2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1cc(Br)ccc1CN)C1CC1
InChIInChI=1S/C14H21BrN2/c1-10(2)9-17(13-5-6-13)14-7-12(15)4-3-11(14)8-16/h3-4,7,10,13H,5-6,8-9,16H2,1-2H3
InChIKeyNRTRRBIUOVDLMU-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.53
Rot. Bonds5

About 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline

2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline (PubChem CID 55001986) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
PubChem CID55001986
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1cc(Br)ccc1CN)C1CC1
InChIInChI=1S/C14H21BrN2/c1-10(2)9-17(13-5-6-13)14-7-12(15)4-3-11(14)8-16/h3-4,7,10,13H,5-6,8-9,16H2,1-2H3
InChIKeyNRTRRBIUOVDLMU-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 63553418
4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114904512
4-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-nitroaniline
CID 63463503
5-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 81246878
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972
5-bromo-2-(chloromethyl)-N-cyclopropyl-N-propylaniline
CID 43270621
3-bromo-8-N-cyclopropyl-8-N-(2-methylpropyl)quinoline-5,8-diamine
CID 106949218
5-bromo-2-[cyclopentyl(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892619
N-(4-bromo-2-nitrophenyl)-N-(2-methylpropyl)-1-oxothian-4-amine
CID 145351291
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline
CID 62307923
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 115581634

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline?
The IUPAC name of 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline (CID 55001986) is 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline is CC(C)CN(c1cc(Br)ccc1CN)C1CC1.
What is the InChIKey of 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline?
The InChIKey is NRTRRBIUOVDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(2)9-17(13-5-6-13)14-7-12(15)4-3-11(14)8-16/h3-4,7,10,13H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline?
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline has a molecular weight of 297.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 55001986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).