1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine

C14H19BrN4 — CID 103398570

IUPAC1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
SMILESCC(C)(C)n1cc(CNCc2ccc(Br)cc2)nn1
InChIInChI=1S/C14H19BrN4/c1-14(2,3)19-10-13(17-18-19)9-16-8-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3
InChIKeyYRUCZEZQJRTIPP-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.09
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine

1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine (PubChem CID 103398570) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
PubChem CID103398570
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
SMILESCC(C)(C)n1cc(CNCc2ccc(Br)cc2)nn1
InChIInChI=1S/C14H19BrN4/c1-14(2,3)19-10-13(17-18-19)9-16-8-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3
InChIKeyYRUCZEZQJRTIPP-UHFFFAOYSA-N
XLogP3.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
CID 103398951
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 103398556
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103398948
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 103398586
2-bromo-N-[(1-tert-butyltriazol-4-yl)methyl]-5-chloroaniline
CID 103399244
3-[(1-tert-butyltriazol-4-yl)methylamino]propanenitrile
CID 103398646
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
N-[(1-tert-butyltriazol-4-yl)methyl]-4-fluoroaniline
CID 103398542
1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 103399323
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine (CID 103398570) is 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine is CC(C)(C)n1cc(CNCc2ccc(Br)cc2)nn1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine?
The InChIKey is YRUCZEZQJRTIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-14(2,3)19-10-13(17-18-19)9-16-8-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine?
1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine has a molecular weight of 323.24 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103398570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).