4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline

C15H22BrN — CID 107081489

IUPAC4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(N(C)c2ccc(CBr)cc2)C1
InChIInChI=1S/C15H22BrN/c1-12-4-3-5-15(10-12)17(2)14-8-6-13(11-16)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeySEFMGBGTCYMYCD-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.60
Rot. Bonds3

About 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline

4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 107081489) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID107081489
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(N(C)c2ccc(CBr)cc2)C1
InChIInChI=1S/C15H22BrN/c1-12-4-3-5-15(10-12)17(2)14-8-6-13(11-16)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeySEFMGBGTCYMYCD-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-methyl-N-(4-methylcyclohexyl)aniline
CID 107081309
N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63551559
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
4-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446292
N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082122
N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 61446172
4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62136395
4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline
CID 107085198
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 107081479
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401
[2-[methyl-(3-methylcyclohexyl)amino]pyrimidin-5-yl]methanol
CID 113387837
6-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)pyridin-3-amine
CID 103937129

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline (CID 107081489) is 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline is CC1CCCC(N(C)c2ccc(CBr)cc2)C1.
What is the InChIKey of 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is SEFMGBGTCYMYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12-4-3-5-15(10-12)17(2)14-8-6-13(11-16)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline?
4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 296.25 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 107081489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).