N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine

C15H18BrN3 — CID 104777664

IUPACN-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
SMILESCCCN(Cc1cccc(N)c1)c1ccncc1Br
InChIInChI=1S/C15H18BrN3/c1-2-8-19(15-6-7-18-10-14(15)16)11-12-4-3-5-13(17)9-12/h3-7,9-10H,2,8,11,17H2,1H3
InChIKeyMSTIYORUMKIKEG-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.84
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine

N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine (PubChem CID 104777664) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
PubChem CID104777664
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
SMILESCCCN(Cc1cccc(N)c1)c1ccncc1Br
InChIInChI=1S/C15H18BrN3/c1-2-8-19(15-6-7-18-10-14(15)16)11-12-4-3-5-13(17)9-12/h3-7,9-10H,2,8,11,17H2,1H3
InChIKeyMSTIYORUMKIKEG-UHFFFAOYSA-N
XLogP3.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
CID 114869643
3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine
CID 55039868
2-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60876866
4-[(3-aminophenyl)methyl-propylamino]-2-bromobenzonitrile
CID 107281139
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine
CID 65169131
N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine
CID 113452094
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
N-[(3-aminophenyl)methyl]-N-propyl-1,3-benzothiazol-2-amine
CID 60877209
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine (CID 104777664) is N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine is CCCN(Cc1cccc(N)c1)c1ccncc1Br.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine?
The InChIKey is MSTIYORUMKIKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-8-19(15-6-7-18-10-14(15)16)11-12-4-3-5-13(17)9-12/h3-7,9-10H,2,8,11,17H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine?
N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine is sourced from PubChem (CID 104777664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).