5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline

C18H27BrN2 — CID 63553037

IUPAC5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(CC1CCCCC1)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C18H27BrN2/c1-21(13-14-5-3-2-4-6-14)18-11-16(19)8-7-15(18)12-20-17-9-10-17/h7-8,11,14,17,20H,2-6,9-10,12-13H2,1H3
InChIKeyYRVOIOZYJNGLGD-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.72
Rot. Bonds6

About 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline

5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline (PubChem CID 63553037) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
PubChem CID63553037
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(CC1CCCCC1)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C18H27BrN2/c1-21(13-14-5-3-2-4-6-14)18-11-16(19)8-7-15(18)12-20-17-9-10-17/h7-8,11,14,17,20H,2-6,9-10,12-13H2,1H3
InChIKeyYRVOIOZYJNGLGD-UHFFFAOYSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
4-bromo-2-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
CID 114061767
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310755
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057223
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
2-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149052
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline (CID 63553037) is 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline is CN(CC1CCCCC1)c1cc(Br)ccc1CNC1CC1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline?
The InChIKey is YRVOIOZYJNGLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-21(13-14-5-3-2-4-6-14)18-11-16(19)8-7-15(18)12-20-17-9-10-17/h7-8,11,14,17,20H,2-6,9-10,12-13H2,1H3.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline?
5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline has a molecular weight of 351.33 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline is sourced from PubChem (CID 63553037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).