N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine

C16H20BrN3 — CID 114869637

IUPACN-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(N(Cc2ccc(N)cc2)C(C)C)ncc1Br
InChIInChI=1S/C16H20BrN3/c1-11(2)20(10-13-4-6-14(18)7-5-13)16-8-12(3)15(17)9-19-16/h4-9,11H,10,18H2,1-3H3
InChIKeyRPJZGEDKRWKNJQ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.15
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine

N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 114869637) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID114869637
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(N(Cc2ccc(N)cc2)C(C)C)ncc1Br
InChIInChI=1S/C16H20BrN3/c1-11(2)20(10-13-4-6-14(18)7-5-13)16-8-12(3)15(17)9-19-16/h4-9,11H,10,18H2,1-3H3
InChIKeyRPJZGEDKRWKNJQ-UHFFFAOYSA-N
XLogP4.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869638
N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476642
N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine
CID 61239410
5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869981
3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 114869122
4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829117
N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine
CID 115993964
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
CID 114869643
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004
4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979223

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine (CID 114869637) is N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine is Cc1cc(N(Cc2ccc(N)cc2)C(C)C)ncc1Br.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is RPJZGEDKRWKNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11(2)20(10-13-4-6-14(18)7-5-13)16-8-12(3)15(17)9-19-16/h4-9,11H,10,18H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine?
N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114869637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).