1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine

C14H22BrN3 — CID 114048172

IUPAC1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(N2CCC(N(C)C)CC2)c(Br)cc1N
InChIInChI=1S/C14H22BrN3/c1-10-8-14(12(15)9-13(10)16)18-6-4-11(5-7-18)17(2)3/h8-9,11H,4-7,16H2,1-3H3
InChIKeyYTEIQYVIVQLNHQ-UHFFFAOYSA-N
MW312.26 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine

1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 114048172) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID114048172
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(N2CCC(N(C)C)CC2)c(Br)cc1N
InChIInChI=1S/C14H22BrN3/c1-10-8-14(12(15)9-13(10)16)18-6-4-11(5-7-18)17(2)3/h8-9,11H,4-7,16H2,1-3H3
InChIKeyYTEIQYVIVQLNHQ-UHFFFAOYSA-N
XLogP2.87
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 114048234
1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 139516178
5-bromo-4-(3-tert-butylpyrrolidin-1-yl)-2-methylaniline
CID 114048327
1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 55130361
1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 55130530
3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799389
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
5-bromo-2-methyl-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 114048254
5-bromo-2-[4-(dimethylamino)piperidin-1-yl]benzonitrile
CID 86811095
2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166062363
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106747334
4-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine
CID 43585737

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine (CID 114048172) is 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine is Cc1cc(N2CCC(N(C)C)CC2)c(Br)cc1N.
What is the InChIKey of 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is YTEIQYVIVQLNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-10-8-14(12(15)9-13(10)16)18-6-4-11(5-7-18)17(2)3/h8-9,11H,4-7,16H2,1-3H3.
What are the key properties of 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine?
1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 312.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 114048172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).