N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine

C17H22BrN3 — CID 62287320

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)Cc2ccc(Br)cc2)ccn1
InChIInChI=1S/C17H22BrN3/c1-13(2)20-11-16-10-17(8-9-19-16)21(3)12-14-4-6-15(18)7-5-14/h4-10,13,20H,11-12H2,1-3H3
InChIKeyRVYBGDNKGIJQQQ-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.98
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine

N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 62287320) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID62287320
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)Cc2ccc(Br)cc2)ccn1
InChIInChI=1S/C17H22BrN3/c1-13(2)20-11-16-10-17(8-9-19-16)21(3)12-14-4-6-15(18)7-5-14/h4-10,13,20H,11-12H2,1-3H3
InChIKeyRVYBGDNKGIJQQQ-UHFFFAOYSA-N
XLogP3.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 62287320) is N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cc(N(C)Cc2ccc(Br)cc2)ccn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is RVYBGDNKGIJQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-13(2)20-11-16-10-17(8-9-19-16)21(3)12-14-4-6-15(18)7-5-14/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 348.29 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 62287320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).